5-amino-3-(azetidin-3-ylamino)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile

C14H15ClN6 — CID 102796539

IUPAC5-amino-3-(azetidin-3-ylamino)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile
SMILESN#Cc1c(NC2CNC2)nn(Cc2ccccc2Cl)c1N
InChIInChI=1S/C14H15ClN6/c15-12-4-2-1-3-9(12)8-21-13(17)11(5-16)14(20-21)19-10-6-18-7-10/h1-4,10,18H,6-8,17H2,(H,19,20)
InChIKeyVNKSRPNZRZJNBS-UHFFFAOYSA-N
MW302.77 g/mol
LogP1.42
Rot. Bonds4

About 5-amino-3-(azetidin-3-ylamino)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile

5-amino-3-(azetidin-3-ylamino)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile (PubChem CID 102796539) has the molecular formula C14H15ClN6 and a molecular weight of 302.77 g/mol. Its IUPAC name is 5-amino-3-(azetidin-3-ylamino)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(azetidin-3-ylamino)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile
PubChem CID102796539
Molecular FormulaC14H15ClN6
Molecular Weight302.77 g/mol
Exact Mass302.10
IUPAC Name5-amino-3-(azetidin-3-ylamino)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile
SMILESN#Cc1c(NC2CNC2)nn(Cc2ccccc2Cl)c1N
InChIInChI=1S/C14H15ClN6/c15-12-4-2-1-3-9(12)8-21-13(17)11(5-16)14(20-21)19-10-6-18-7-10/h1-4,10,18H,6-8,17H2,(H,19,20)
InChIKeyVNKSRPNZRZJNBS-UHFFFAOYSA-N
XLogP1.42
TPSA91.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-[(2-chlorophenyl)methyl]-3-cyclopentylpyrazole-4-carbonitrile
CID 100764251
5-amino-1-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methyl]pyrazole-4-carbonitrile
CID 100764287
5-amino-3-(azetidin-3-ylamino)-1-(6-chloropyridazin-3-yl)pyrazole-4-carbonitrile
CID 102795399
5-amino-3-(azetidin-3-ylamino)-1-(4-methyl-2-pyridinyl)pyrazole-4-carbonitrile
CID 102796280
5-chloro-1-[(2-chlorophenyl)methyl]-3-(difluoromethyl)pyrazole-4-carbonitrile
CID 55237713
5-amino-1-[(4-chlorophenyl)methyl]-3-[(2-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100764522
2-[(2-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine
CID 63276587
5-amino-1-butyl-3-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile
CID 100762457
5-amino-1-benzyl-3-(pyridin-3-ylamino)pyrazole-4-carbonitrile
CID 21190636
5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile
CID 102796021
5-amino-1-[(4-bromophenyl)methyl]-3-(methylamino)pyrazole-4-carbonitrile
CID 102796548
5-amino-1-benzyl-3-(4-chloroanilino)pyrazole-4-carbonitrile;benzylhydrazine;dihydrochloride
CID 19610662

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(azetidin-3-ylamino)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(azetidin-3-ylamino)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile (CID 102796539) is 5-amino-3-(azetidin-3-ylamino)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(azetidin-3-ylamino)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(azetidin-3-ylamino)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile is N#Cc1c(NC2CNC2)nn(Cc2ccccc2Cl)c1N.
What is the InChIKey of 5-amino-3-(azetidin-3-ylamino)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile?
The InChIKey is VNKSRPNZRZJNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6/c15-12-4-2-1-3-9(12)8-21-13(17)11(5-16)14(20-21)19-10-6-18-7-10/h1-4,10,18H,6-8,17H2,(H,19,20).
What are the key properties of 5-amino-3-(azetidin-3-ylamino)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile?
5-amino-3-(azetidin-3-ylamino)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile has a molecular weight of 302.77 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(azetidin-3-ylamino)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile is sourced from PubChem (CID 102796539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).