N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide

C9H14N4O2 — CID 115664810

IUPACN-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC(C)CC(N)=O
InChIInChI=1S/C9H14N4O2/c1-5(3-8(10)14)12-9(15)7-4-11-13-6(7)2/h4-5H,3H2,1-2H3,(H2,10,14)(H,11,13)(H,12,15)
InChIKeyFVMFMKBWMAMUGF-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.29
Rot. Bonds4

About N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide

N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 115664810) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID115664810
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
SMILESCc1[nH]ncc1C(=O)NC(C)CC(N)=O
InChIInChI=1S/C9H14N4O2/c1-5(3-8(10)14)12-9(15)7-4-11-13-6(7)2/h4-5H,3H2,1-2H3,(H2,10,14)(H,11,13)(H,12,15)
InChIKeyFVMFMKBWMAMUGF-UHFFFAOYSA-N
XLogP-0.29
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromopropan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114310722
5-methyl-N-pentan-3-yl-1H-pyrazole-4-carboxamide
CID 63996997
N-(1-amino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65191454
(2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 107829870
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 77042436
5-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide
CID 129032601
N-(1-chloro-4-methylpentan-3-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 106354631
N-(1-chloro-4-methylpentan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114301001
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107300381
N-(1-amino-4,4-dimethylpentan-3-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 106357237
methyl 2-hydroxy-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 103958201
N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide
CID 115664821

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide (CID 115664810) is N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide is Cc1[nH]ncc1C(=O)NC(C)CC(N)=O.
What is the InChIKey of N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is FVMFMKBWMAMUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-5(3-8(10)14)12-9(15)7-4-11-13-6(7)2/h4-5H,3H2,1-2H3,(H2,10,14)(H,11,13)(H,12,15).
What are the key properties of N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide?
N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 115664810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).