5-amino-1-(3-chlorophenyl)-3-(oxolan-2-yl)pyrazole-4-carbonitrile

C14H13ClN4O — CID 22310045

IUPAC5-amino-1-(3-chlorophenyl)-3-(oxolan-2-yl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C2CCCO2)nn(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C14H13ClN4O/c15-9-3-1-4-10(7-9)19-14(17)11(8-16)13(18-19)12-5-2-6-20-12/h1,3-4,7,12H,2,5-6,17H2
InChIKeyFACWHHFRIKALEQ-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.83
Rot. Bonds2

About 5-amino-1-(3-chlorophenyl)-3-(oxolan-2-yl)pyrazole-4-carbonitrile

5-amino-1-(3-chlorophenyl)-3-(oxolan-2-yl)pyrazole-4-carbonitrile (PubChem CID 22310045) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 5-amino-1-(3-chlorophenyl)-3-(oxolan-2-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(3-chlorophenyl)-3-(oxolan-2-yl)pyrazole-4-carbonitrile
PubChem CID22310045
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name5-amino-1-(3-chlorophenyl)-3-(oxolan-2-yl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C2CCCO2)nn(-c2cccc(Cl)c2)c1N
InChIInChI=1S/C14H13ClN4O/c15-9-3-1-4-10(7-9)19-14(17)11(8-16)13(18-19)12-5-2-6-20-12/h1,3-4,7,12H,2,5-6,17H2
InChIKeyFACWHHFRIKALEQ-UHFFFAOYSA-N
XLogP2.83
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-3-(oxolan-2-yl)-1-pyridin-4-ylpyrazole-4-carbonitrile
CID 22310054
4-[5-amino-4-cyano-3-[(2R)-oxolan-2-yl]pyrazol-1-yl]benzenesulfonamide
CID 124522610
5-amino-1-(3-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 139697479
5-amino-1-methyl-3-(oxolan-2-yl)pyrazole-4-carbonitrile
CID 22310036
5-amino-3-(oxolan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonitrile
CID 22310061
5-amino-1-(3-chlorophenyl)-3-(methylamino)pyrazole-4-carbonitrile
CID 102795584
[1-(3-chlorophenyl)-5-(oxolan-2-yl)triazol-4-yl]methanol
CID 82200344
5-amino-3-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)pyrazole-4-carbonitrile
CID 22309881
1-(3-chlorophenyl)-4-cyano-3-methylpyrazole-5-sulfonamide
CID 116647231
2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
CID 83868844
5-chloro-1-(3-chlorophenyl)-3-propan-2-ylpyrazole-4-carbonitrile
CID 63788951
5-amino-1-(3-bromophenyl)-3-(4-chlorophenyl)pyrazole-4-carbonitrile
CID 171397335

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-chlorophenyl)-3-(oxolan-2-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(3-chlorophenyl)-3-(oxolan-2-yl)pyrazole-4-carbonitrile (CID 22310045) is 5-amino-1-(3-chlorophenyl)-3-(oxolan-2-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(3-chlorophenyl)-3-(oxolan-2-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(3-chlorophenyl)-3-(oxolan-2-yl)pyrazole-4-carbonitrile is N#Cc1c(C2CCCO2)nn(-c2cccc(Cl)c2)c1N.
What is the InChIKey of 5-amino-1-(3-chlorophenyl)-3-(oxolan-2-yl)pyrazole-4-carbonitrile?
The InChIKey is FACWHHFRIKALEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c15-9-3-1-4-10(7-9)19-14(17)11(8-16)13(18-19)12-5-2-6-20-12/h1,3-4,7,12H,2,5-6,17H2.
What are the key properties of 5-amino-1-(3-chlorophenyl)-3-(oxolan-2-yl)pyrazole-4-carbonitrile?
5-amino-1-(3-chlorophenyl)-3-(oxolan-2-yl)pyrazole-4-carbonitrile has a molecular weight of 288.74 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-chlorophenyl)-3-(oxolan-2-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 22310045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).