2-cyclopropyl-1H-imidazol-5-amine;3-cyclopropyl-1,2-oxazol-5-amine;5-cyclopropyl-1H-pyrazol-3-amine;2-cyclopropyl-1,3-thiazol-5-amine;methane;5-propan-2-yl-1H-pyrazol-3-amine

C35H65N13OS — CID 160774681

IUPAC2-cyclopropyl-1H-imidazol-5-amine;3-cyclopropyl-1,2-oxazol-5-amine;5-cyclopropyl-1H-pyrazol-3-amine;2-cyclopropyl-1,3-thiazol-5-amine;methane;5-propan-2-yl-1H-pyrazol-3-amine
SMILESC.C.C.C.C.CC(C)c1cc(N)n[nH]1.Nc1cc(C2CC2)[nH]n1.Nc1cc(C2CC2)no1.Nc1cnc(C2CC2)[nH]1.Nc1cnc(C2CC2)s1
InChIInChI=1S/2C6H9N3.C6H11N3.C6H8N2O.C6H8N2S.5CH4/c7-5-3-8-6(9-5)4-1-2-4;7-6-3-5(8-9-6)4-1-2-4;1-4(2)5-3-6(7)9-8-5;7-6-3-5(8-9-6)4-1-2-4;7-5-3-8-6(9-5)4-1-2-4;;;;;/h3-4H,1-2,7H2,(H,8,9);3-4H,1-2H2,(H3,7,8,9);3-4H,1-2H3,(H3,7,8,9);2*3-4H,1-2,7H2;5*1H4
InChIKeyRZUBOUDHKCNIPG-UHFFFAOYSA-N
MW716.06 g/mol
LogP8.77
Rot. Bonds5

About 2-cyclopropyl-1H-imidazol-5-amine;3-cyclopropyl-1,2-oxazol-5-amine;5-cyclopropyl-1H-pyrazol-3-amine;2-cyclopropyl-1,3-thiazol-5-amine;methane;5-propan-2-yl-1H-pyrazol-3-amine

2-cyclopropyl-1H-imidazol-5-amine;3-cyclopropyl-1,2-oxazol-5-amine;5-cyclopropyl-1H-pyrazol-3-amine;2-cyclopropyl-1,3-thiazol-5-amine;methane;5-propan-2-yl-1H-pyrazol-3-amine (PubChem CID 160774681) has the molecular formula C35H65N13OS and a molecular weight of 716.06 g/mol. Its IUPAC name is 2-cyclopropyl-1H-imidazol-5-amine;3-cyclopropyl-1,2-oxazol-5-amine;5-cyclopropyl-1H-pyrazol-3-amine;2-cyclopropyl-1,3-thiazol-5-amine;methane;5-propan-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-1H-imidazol-5-amine;3-cyclopropyl-1,2-oxazol-5-amine;5-cyclopropyl-1H-pyrazol-3-amine;2-cyclopropyl-1,3-thiazol-5-amine;methane;5-propan-2-yl-1H-pyrazol-3-amine
PubChem CID160774681
Molecular FormulaC35H65N13OS
Molecular Weight716.06 g/mol
Exact Mass715.52
IUPAC Name2-cyclopropyl-1H-imidazol-5-amine;3-cyclopropyl-1,2-oxazol-5-amine;5-cyclopropyl-1H-pyrazol-3-amine;2-cyclopropyl-1,3-thiazol-5-amine;methane;5-propan-2-yl-1H-pyrazol-3-amine
SMILESC.C.C.C.C.CC(C)c1cc(N)n[nH]1.Nc1cc(C2CC2)[nH]n1.Nc1cc(C2CC2)no1.Nc1cnc(C2CC2)[nH]1.Nc1cnc(C2CC2)s1
InChIInChI=1S/2C6H9N3.C6H11N3.C6H8N2O.C6H8N2S.5CH4/c7-5-3-8-6(9-5)4-1-2-4;7-6-3-5(8-9-6)4-1-2-4;1-4(2)5-3-6(7)9-8-5;7-6-3-5(8-9-6)4-1-2-4;7-5-3-8-6(9-5)4-1-2-4;;;;;/h3-4H,1-2,7H2,(H,8,9);3-4H,1-2H2,(H3,7,8,9);3-4H,1-2H3,(H3,7,8,9);2*3-4H,1-2,7H2;5*1H4
InChIKeyRZUBOUDHKCNIPG-UHFFFAOYSA-N
XLogP8.77
TPSA255.06 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500716.06
LogP ≤ 58.77
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

Analyze 2-cyclopropyl-1H-imidazol-5-amine;3-cyclopropyl-1,2-oxazol-5-amine;5-cyclopropyl-1H-pyrazol-3-amine;2-cyclopropyl-1,3-thiazol-5-amine;methane;5-propan-2-yl-1H-pyrazol-3-amine with MolForge

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Related Compounds

bis(2,5-dimethyl-1H-imidazole);bis(3,5-dimethyl-1,2-oxazole);3,5-dimethyl-1H-pyrazole;2,5-dimethyl-1,3,4-thiadiazole;2,4-dimethyl-1,3-thiazole;bis(2,5-dimethyl-1,3-thiazole);3,5-dimethyl-1H-1,2,4-triazole
CID 157284552
5-propan-2-yl-1H-imidazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1H-pyrazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2H-triazole
CID 158626931
2,5-di(propan-2-yl)-1H-imidazole;3,5-di(propan-2-yl)-1,2-oxazole;3,5-di(propan-2-yl)-1H-pyrazole;2,5-di(propan-2-yl)-1,3-thiazole;2-methyl-N-(5-methyl-4-oxohexyl)propanamide
CID 161786456

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1H-imidazol-5-amine;3-cyclopropyl-1,2-oxazol-5-amine;5-cyclopropyl-1H-pyrazol-3-amine;2-cyclopropyl-1,3-thiazol-5-amine;methane;5-propan-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 2-cyclopropyl-1H-imidazol-5-amine;3-cyclopropyl-1,2-oxazol-5-amine;5-cyclopropyl-1H-pyrazol-3-amine;2-cyclopropyl-1,3-thiazol-5-amine;methane;5-propan-2-yl-1H-pyrazol-3-amine (CID 160774681) is 2-cyclopropyl-1H-imidazol-5-amine;3-cyclopropyl-1,2-oxazol-5-amine;5-cyclopropyl-1H-pyrazol-3-amine;2-cyclopropyl-1,3-thiazol-5-amine;methane;5-propan-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 2-cyclopropyl-1H-imidazol-5-amine;3-cyclopropyl-1,2-oxazol-5-amine;5-cyclopropyl-1H-pyrazol-3-amine;2-cyclopropyl-1,3-thiazol-5-amine;methane;5-propan-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 2-cyclopropyl-1H-imidazol-5-amine;3-cyclopropyl-1,2-oxazol-5-amine;5-cyclopropyl-1H-pyrazol-3-amine;2-cyclopropyl-1,3-thiazol-5-amine;methane;5-propan-2-yl-1H-pyrazol-3-amine is C.C.C.C.C.CC(C)c1cc(N)n[nH]1.Nc1cc(C2CC2)[nH]n1.Nc1cc(C2CC2)no1.Nc1cnc(C2CC2)[nH]1.Nc1cnc(C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-1H-imidazol-5-amine;3-cyclopropyl-1,2-oxazol-5-amine;5-cyclopropyl-1H-pyrazol-3-amine;2-cyclopropyl-1,3-thiazol-5-amine;methane;5-propan-2-yl-1H-pyrazol-3-amine?
The InChIKey is RZUBOUDHKCNIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9N3.C6H11N3.C6H8N2O.C6H8N2S.5CH4/c7-5-3-8-6(9-5)4-1-2-4;7-6-3-5(8-9-6)4-1-2-4;1-4(2)5-3-6(7)9-8-5;7-6-3-5(8-9-6)4-1-2-4;7-5-3-8-6(9-5)4-1-2-4;;;;;/h3-4H,1-2,7H2,(H,8,9);3-4H,1-2H2,(H3,7,8,9);3-4H,1-2H3,(H3,7,8,9);2*3-4H,1-2,7H2;5*1H4.
What are the key properties of 2-cyclopropyl-1H-imidazol-5-amine;3-cyclopropyl-1,2-oxazol-5-amine;5-cyclopropyl-1H-pyrazol-3-amine;2-cyclopropyl-1,3-thiazol-5-amine;methane;5-propan-2-yl-1H-pyrazol-3-amine?
2-cyclopropyl-1H-imidazol-5-amine;3-cyclopropyl-1,2-oxazol-5-amine;5-cyclopropyl-1H-pyrazol-3-amine;2-cyclopropyl-1,3-thiazol-5-amine;methane;5-propan-2-yl-1H-pyrazol-3-amine has a molecular weight of 716.06 g/mol, XLogP of 8.77, 5 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1H-imidazol-5-amine;3-cyclopropyl-1,2-oxazol-5-amine;5-cyclopropyl-1H-pyrazol-3-amine;2-cyclopropyl-1,3-thiazol-5-amine;methane;5-propan-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 160774681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).