5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide

C8H12N4O — CID 117215256

IUPAC5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CC2)cc1N
InChIInChI=1S/C8H12N4O/c1-12-7(9)4-6(11-12)8(13)10-5-2-3-5/h4-5H,2-3,9H2,1H3,(H,10,13)
InChIKeyVAIVOWKKIPYLHD-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.11
Rot. Bonds2

About 5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide

5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide (PubChem CID 117215256) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide
PubChem CID117215256
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CC2)cc1N
InChIInChI=1S/C8H12N4O/c1-12-7(9)4-6(11-12)8(13)10-5-2-3-5/h4-5H,2-3,9H2,1H3,(H,10,13)
InChIKeyVAIVOWKKIPYLHD-UHFFFAOYSA-N
XLogP-0.11
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 117215420
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CID 110335992
N-cyclohexyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336117
1,5-dimethyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119451610
1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126934624
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
5-(cyclopentanecarbonylamino)-1-methyl-N-(thian-4-yl)pyrazole-3-carboxamide
CID 51999688
N-(4-aminocyclohexyl)-1-tert-butyl-5-cyclopropylpyrazole-3-carboxamide
CID 119474690
1,5-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126934286
N-cyclopropyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477474
N-(4-hydroxycyclohexyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61057507
N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide
CID 168679995

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide (CID 117215256) is 5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NC2CC2)cc1N.
What is the InChIKey of 5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide?
The InChIKey is VAIVOWKKIPYLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12-7(9)4-6(11-12)8(13)10-5-2-3-5/h4-5H,2-3,9H2,1H3,(H,10,13).
What are the key properties of 5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide?
5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide has a molecular weight of 180.21 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 117215256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).