N-propan-2-yl-1H-pyrazole-4-carboxamide

C7H11N3O — CID 20785130

IUPACN-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn[nH]c1
InChIInChI=1S/C7H11N3O/c1-5(2)10-7(11)6-3-8-9-4-6/h3-5H,1-2H3,(H,8,9)(H,10,11)
InChIKeyRWSDMNCTYSKWCS-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.55
Rot. Bonds2

About N-propan-2-yl-1H-pyrazole-4-carboxamide

N-propan-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 20785130) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is N-propan-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1H-pyrazole-4-carboxamide
PubChem CID20785130
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC NameN-propan-2-yl-1H-pyrazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn[nH]c1
InChIInChI=1S/C7H11N3O/c1-5(2)10-7(11)6-3-8-9-4-6/h3-5H,1-2H3,(H,8,9)(H,10,11)
InChIKeyRWSDMNCTYSKWCS-UHFFFAOYSA-N
XLogP0.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 79252748
N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide
CID 61245282
N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide
CID 115662264
(2S)-3,3-dimethyl-2-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 61144659
N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide
CID 130661028
N-[1-(2-chlorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60786137
N-[(1R)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99942965
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 60967175
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 61149421
N-methyl-1H-pyrazole-4-carboxamide;propane
CID 155700970
4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 62478251
N-[2-methyl-3-(methylamino)propyl]-1H-pyrazole-4-carboxamide
CID 115302661

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-propan-2-yl-1H-pyrazole-4-carboxamide (CID 20785130) is N-propan-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-propan-2-yl-1H-pyrazole-4-carboxamide is CC(C)NC(=O)c1cn[nH]c1.
What is the InChIKey of N-propan-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is RWSDMNCTYSKWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5(2)10-7(11)6-3-8-9-4-6/h3-5H,1-2H3,(H,8,9)(H,10,11).
What are the key properties of N-propan-2-yl-1H-pyrazole-4-carboxamide?
N-propan-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 153.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 20785130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).