1-(pyrrolidine-1-carbonyl)pyrazole-4-carbonitrile

C9H10N4O — CID 118526914

IUPAC1-(pyrrolidine-1-carbonyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)N2CCCC2)c1
InChIInChI=1S/C9H10N4O/c10-5-8-6-11-13(7-8)9(14)12-3-1-2-4-12/h6-7H,1-4H2
InChIKeySVAKPURGRYCHGQ-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.82
Rot. Bonds

About 1-(pyrrolidine-1-carbonyl)pyrazole-4-carbonitrile

1-(pyrrolidine-1-carbonyl)pyrazole-4-carbonitrile (PubChem CID 118526914) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-(pyrrolidine-1-carbonyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(pyrrolidine-1-carbonyl)pyrazole-4-carbonitrile
PubChem CID118526914
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1-(pyrrolidine-1-carbonyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(C(=O)N2CCCC2)c1
InChIInChI=1S/C9H10N4O/c10-5-8-6-11-13(7-8)9(14)12-3-1-2-4-12/h6-7H,1-4H2
InChIKeySVAKPURGRYCHGQ-UHFFFAOYSA-N
XLogP0.82
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetyl-1,4-diazepane-1-carbonyl)pyrazole-4-carbonitrile
CID 118526729
[4-(4-cyanopyrazole-1-carbonyl)-1,4-diazepan-1-yl]methanesulfinic acid
CID 130187545
1-(7-propan-2-yl-1,7-diazaspiro[3.4]octane-1-carbonyl)pyrazole-4-carbonitrile
CID 170571684
4-(azepane-1-carbonyl)benzonitrile
CID 7964092
N-(4-cyano-6-methyl-2-pyridinyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 167786103
N-(5-cyano-2-pyridinyl)azocane-1-carboxamide
CID 126839121
(4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone
CID 145315981
3-(4-cyanopyrazol-1-yl)-2-fluoropropanoic acid
CID 84658831
tert-butyl 4-[4-(trifluoromethyl)pyrazole-1-carbonyl]-1,4-diazepane-1-carboxylate
CID 118526897
1-cyclobutylpyrazole-4-carbonitrile
CID 105429045
[4-(4-chloropyrazole-1-carbonyl)-1,4-diazepan-1-yl]methanesulfinate
CID 130187548
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidine-1-carbonyl)pyrazole-4-carbonitrile?
The IUPAC name of 1-(pyrrolidine-1-carbonyl)pyrazole-4-carbonitrile (CID 118526914) is 1-(pyrrolidine-1-carbonyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-(pyrrolidine-1-carbonyl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-(pyrrolidine-1-carbonyl)pyrazole-4-carbonitrile is N#Cc1cnn(C(=O)N2CCCC2)c1.
What is the InChIKey of 1-(pyrrolidine-1-carbonyl)pyrazole-4-carbonitrile?
The InChIKey is SVAKPURGRYCHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c10-5-8-6-11-13(7-8)9(14)12-3-1-2-4-12/h6-7H,1-4H2.
What are the key properties of 1-(pyrrolidine-1-carbonyl)pyrazole-4-carbonitrile?
1-(pyrrolidine-1-carbonyl)pyrazole-4-carbonitrile has a molecular weight of 190.21 g/mol, XLogP of 0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidine-1-carbonyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 118526914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).