4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide

C13H24N4O — CID 62082646

IUPAC4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC(C)CCCC(C)C)c1N
InChIInChI=1S/C13H24N4O/c1-8(2)6-5-7-9(3)15-13(18)12-11(14)10(4)16-17-12/h8-9H,5-7,14H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyFQXSJTNZDHZEKX-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.24
Rot. Bonds6

About 4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 62082646) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID62082646
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC(C)CCCC(C)C)c1N
InChIInChI=1S/C13H24N4O/c1-8(2)6-5-7-9(3)15-13(18)12-11(14)10(4)16-17-12/h8-9H,5-7,14H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyFQXSJTNZDHZEKX-UHFFFAOYSA-N
XLogP2.24
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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4-amino-5-methyl-N-(4-methylsulfinylbutan-2-yl)-1H-pyrazole-3-carboxamide
CID 113493376
4-amino-5-cyclopropyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide
CID 62077945
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CID 65387069
4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55034501
4-amino-N-(2,3-dimethylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 64570786
5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386939
4-amino-N-hex-1-yn-3-yl-5-methyl-1H-pyrazole-3-carboxamide
CID 106223482
4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
CID 79354725
4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 113406538
4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082092

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide (CID 62082646) is 4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NC(C)CCCC(C)C)c1N.
What is the InChIKey of 4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is FQXSJTNZDHZEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-8(2)6-5-7-9(3)15-13(18)12-11(14)10(4)16-17-12/h8-9H,5-7,14H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(6-methylheptan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62082646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).