5-amino-1-benzyl-3-(pyridin-3-ylamino)pyrazole-4-carbonitrile

C16H14N6 — CID 21190636

IUPAC5-amino-1-benzyl-3-(pyridin-3-ylamino)pyrazole-4-carbonitrile
SMILESN#Cc1c(Nc2cccnc2)nn(Cc2ccccc2)c1N
InChIInChI=1S/C16H14N6/c17-9-14-15(18)22(11-12-5-2-1-3-6-12)21-16(14)20-13-7-4-8-19-10-13/h1-8,10H,11,18H2,(H,20,21)
InChIKeyRUDBCUPNDNTITO-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.52
Rot. Bonds4

About 5-amino-1-benzyl-3-(pyridin-3-ylamino)pyrazole-4-carbonitrile

5-amino-1-benzyl-3-(pyridin-3-ylamino)pyrazole-4-carbonitrile (PubChem CID 21190636) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-amino-1-benzyl-3-(pyridin-3-ylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-benzyl-3-(pyridin-3-ylamino)pyrazole-4-carbonitrile
PubChem CID21190636
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name5-amino-1-benzyl-3-(pyridin-3-ylamino)pyrazole-4-carbonitrile
SMILESN#Cc1c(Nc2cccnc2)nn(Cc2ccccc2)c1N
InChIInChI=1S/C16H14N6/c17-9-14-15(18)22(11-12-5-2-1-3-6-12)21-16(14)20-13-7-4-8-19-10-13/h1-8,10H,11,18H2,(H,20,21)
InChIKeyRUDBCUPNDNTITO-UHFFFAOYSA-N
XLogP2.52
TPSA92.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-benzyl-3-(pyridin-3-ylamino)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-benzyl-3-(pyridin-3-ylamino)pyrazole-4-carbonitrile (CID 21190636) is 5-amino-1-benzyl-3-(pyridin-3-ylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-benzyl-3-(pyridin-3-ylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-benzyl-3-(pyridin-3-ylamino)pyrazole-4-carbonitrile is N#Cc1c(Nc2cccnc2)nn(Cc2ccccc2)c1N.
What is the InChIKey of 5-amino-1-benzyl-3-(pyridin-3-ylamino)pyrazole-4-carbonitrile?
The InChIKey is RUDBCUPNDNTITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c17-9-14-15(18)22(11-12-5-2-1-3-6-12)21-16(14)20-13-7-4-8-19-10-13/h1-8,10H,11,18H2,(H,20,21).
What are the key properties of 5-amino-1-benzyl-3-(pyridin-3-ylamino)pyrazole-4-carbonitrile?
5-amino-1-benzyl-3-(pyridin-3-ylamino)pyrazole-4-carbonitrile has a molecular weight of 290.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-benzyl-3-(pyridin-3-ylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 21190636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).