4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide

C11H16N6O — CID 65360004

IUPAC4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide
SMILESCC(C)n1cc(NC(=O)c2c(N)cnn2C)cn1
InChIInChI=1S/C11H16N6O/c1-7(2)17-6-8(4-14-17)15-11(18)10-9(12)5-13-16(10)3/h4-7H,12H2,1-3H3,(H,15,18)
InChIKeyDVLDEOAFYKAHQH-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.03
Rot. Bonds3

About 4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide

4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide (PubChem CID 65360004) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide
PubChem CID65360004
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide
SMILESCC(C)n1cc(NC(=O)c2c(N)cnn2C)cn1
InChIInChI=1S/C11H16N6O/c1-7(2)17-6-8(4-14-17)15-11(18)10-9(12)5-13-16(10)3/h4-7H,12H2,1-3H3,(H,15,18)
InChIKeyDVLDEOAFYKAHQH-UHFFFAOYSA-N
XLogP1.03
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 102705527
2,4-diamino-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 62902803
4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide
CID 65355760
4-amino-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide
CID 65355553
4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide
CID 65356183
4-amino-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 7017546
4-amino-N-(1-amino-1-oxopropan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65355770
2-(aminomethyl)-3-methyl-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 62904611
4-amino-N-hexan-2-yl-1-methylpyrazole-5-carboxamide
CID 65359999
N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
CID 62904126
4-amino-N-[4-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 65355685
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide (CID 65360004) is 4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide is CC(C)n1cc(NC(=O)c2c(N)cnn2C)cn1.
What is the InChIKey of 4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide?
The InChIKey is DVLDEOAFYKAHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-7(2)17-6-8(4-14-17)15-11(18)10-9(12)5-13-16(10)3/h4-7H,12H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide?
4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 65360004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).