N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide

C8H10N4O — CID 130661028

IUPACN-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide
SMILESCC[C@@H](C#N)NC(=O)c1cn[nH]c1
InChIInChI=1S/C8H10N4O/c1-2-7(3-9)12-8(13)6-4-10-11-5-6/h4-5,7H,2H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
InChIKeyLHSZFXOGPVBDMP-ZETCQYMHSA-N
MW178.19 g/mol
LogP0.44
Rot. Bonds3

About N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide

N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide (PubChem CID 130661028) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide
PubChem CID130661028
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC NameN-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide
SMILESCC[C@@H](C#N)NC(=O)c1cn[nH]c1
InChIInChI=1S/C8H10N4O/c1-2-7(3-9)12-8(13)6-4-10-11-5-6/h4-5,7H,2H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
InChIKeyLHSZFXOGPVBDMP-ZETCQYMHSA-N
XLogP0.44
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-methyl-1H-pyrazole-4-carboxamide;propane
CID 155700970
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CID 61119274
N-(2-cyanopropyl)-1H-pyrazole-4-carboxamide
CID 62651511
4-[5-chloro-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]-N-[(1S)-1-cyanopropyl]benzamide
CID 154930870
N-(1-ethylsulfanylpropan-2-yl)-1H-pyrazole-4-carboxamide
CID 115662264
N-[cyano-(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide
CID 122135194
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 79252748
N-(1-cyanopropyl)-3-iodobenzamide
CID 55137319
N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide
CID 61259747
N-(1-hydroxy-4-methylpentan-2-yl)-1H-pyrazole-4-carboxamide
CID 61245282
4-chloro-N-(1-cyanopropyl)-6-methylpyridine-3-carboxamide
CID 103859693

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide (CID 130661028) is N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide is CC[C@@H](C#N)NC(=O)c1cn[nH]c1.
What is the InChIKey of N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide?
The InChIKey is LHSZFXOGPVBDMP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10N4O/c1-2-7(3-9)12-8(13)6-4-10-11-5-6/h4-5,7H,2H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide?
N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide has a molecular weight of 178.19 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyanopropyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 130661028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).