5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

C11H20N4 — CID 66018365

IUPAC5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NCC2CC2)c1N
InChIInChI=1S/C11H20N4/c1-7(2)10-9(12)11(15(3)14-10)13-6-8-4-5-8/h7-8,13H,4-6,12H2,1-3H3
InChIKeyCYVNPCIBJGGSHC-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.95
Rot. Bonds4

About 5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine

5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66018365) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID66018365
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
SMILESCC(C)c1nn(C)c(NCC2CC2)c1N
InChIInChI=1S/C11H20N4/c1-7(2)10-9(12)11(15(3)14-10)13-6-8-4-5-8/h7-8,13H,4-6,12H2,1-3H3
InChIKeyCYVNPCIBJGGSHC-UHFFFAOYSA-N
XLogP1.95
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]methyl]cyclopentan-1-ol
CID 66011569
5-N-(2-methoxy-2-methylpropyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 104758808
5-N-[2-(dimethylamino)ethyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018172
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]acetic acid
CID 66019776
5-N-[(1-methoxycyclobutyl)methyl]-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 114118785
1-methyl-5-N,3-di(propan-2-yl)pyrazole-4,5-diamine
CID 66017780
1-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-3-methoxypropan-2-ol
CID 66012143
1-methyl-5-N-(2-piperidin-1-ylpropyl)-3-propan-2-ylpyrazole-4,5-diamine
CID 66019007
5-N-(3-ethylcyclohexyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66012146
5-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]pentan-2-ol
CID 114146037
2-[(4-amino-1-methyl-3-propan-2-ylpyrazol-5-yl)amino]-N-methylacetamide
CID 66018193
5-N-(cyclohexylmethyl)-3-ethyl-1-methylpyrazole-4,5-diamine
CID 66015985

Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine (CID 66018365) is 5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is CC(C)c1nn(C)c(NCC2CC2)c1N.
What is the InChIKey of 5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is CYVNPCIBJGGSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-7(2)10-9(12)11(15(3)14-10)13-6-8-4-5-8/h7-8,13H,4-6,12H2,1-3H3.
What are the key properties of 5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine?
5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclopropylmethyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66018365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).