4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide

C12H18N6O — CID 62077584

IUPAC4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCCn2cccn2)c1N
InChIInChI=1S/C12H18N6O/c1-8(2)10-9(13)11(17-16-10)12(19)14-5-7-18-6-3-4-15-18/h3-4,6,8H,5,7,13H2,1-2H3,(H,14,19)(H,16,17)
InChIKeyCQAPJRHDURJQNY-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.74
Rot. Bonds5

About 4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide

4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62077584) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
PubChem CID62077584
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)NCCn2cccn2)c1N
InChIInChI=1S/C12H18N6O/c1-8(2)10-9(13)11(17-16-10)12(19)14-5-7-18-6-3-4-15-18/h3-4,6,8H,5,7,13H2,1-2H3,(H,14,19)(H,16,17)
InChIKeyCQAPJRHDURJQNY-UHFFFAOYSA-N
XLogP0.74
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-ethyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 62080974
4-amino-N-[(1-methylimidazol-2-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 63295942
4-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076068
ethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate
CID 55033924
5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 86937462
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-ylethyl)pentanamide
CID 61460950
2-amino-N-(2-pyrazol-1-ylethyl)benzamide
CID 61459954
4-amino-5-propan-2-yl-N-(2-propan-2-ylpyrazol-3-yl)-1H-pyrazole-3-carboxamide
CID 62077396
4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62077044
2-bromo-N-(2-pyrazol-1-ylethyl)butanamide
CID 62855459
3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 39854489
6-amino-N-(2-pyrazol-1-ylethyl)pyridine-2-carboxamide
CID 62239354

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide (CID 62077584) is 4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)NCCn2cccn2)c1N.
What is the InChIKey of 4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is CQAPJRHDURJQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-8(2)10-9(13)11(17-16-10)12(19)14-5-7-18-6-3-4-15-18/h3-4,6,8H,5,7,13H2,1-2H3,(H,14,19)(H,16,17).
What are the key properties of 4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-propan-2-yl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62077584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).