3-amino-5-[4-(benzylamino)phenyl]-1H-pyrazole-4-carbonitrile

C17H15N5 — CID 4019262

IUPAC3-amino-5-[4-(benzylamino)phenyl]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1-c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C17H15N5/c18-10-15-16(21-22-17(15)19)13-6-8-14(9-7-13)20-11-12-4-2-1-3-5-12/h1-9,20H,11H2,(H3,19,21,22)
InChIKeyICAMQRVKJHYPBR-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.14
Rot. Bonds4

About 3-amino-5-[4-(benzylamino)phenyl]-1H-pyrazole-4-carbonitrile

3-amino-5-[4-(benzylamino)phenyl]-1H-pyrazole-4-carbonitrile (PubChem CID 4019262) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-amino-5-[4-(benzylamino)phenyl]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[4-(benzylamino)phenyl]-1H-pyrazole-4-carbonitrile
PubChem CID4019262
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name3-amino-5-[4-(benzylamino)phenyl]-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1-c1ccc(NCc2ccccc2)cc1
InChIInChI=1S/C17H15N5/c18-10-15-16(21-22-17(15)19)13-6-8-14(9-7-13)20-11-12-4-2-1-3-5-12/h1-9,20H,11H2,(H3,19,21,22)
InChIKeyICAMQRVKJHYPBR-UHFFFAOYSA-N
XLogP3.14
TPSA90.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-(benzylamino)phenyl]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[4-(benzylamino)phenyl]-1H-pyrazole-4-carbonitrile (CID 4019262) is 3-amino-5-[4-(benzylamino)phenyl]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[4-(benzylamino)phenyl]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[4-(benzylamino)phenyl]-1H-pyrazole-4-carbonitrile is N#Cc1c(N)n[nH]c1-c1ccc(NCc2ccccc2)cc1.
What is the InChIKey of 3-amino-5-[4-(benzylamino)phenyl]-1H-pyrazole-4-carbonitrile?
The InChIKey is ICAMQRVKJHYPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c18-10-15-16(21-22-17(15)19)13-6-8-14(9-7-13)20-11-12-4-2-1-3-5-12/h1-9,20H,11H2,(H3,19,21,22).
What are the key properties of 3-amino-5-[4-(benzylamino)phenyl]-1H-pyrazole-4-carbonitrile?
3-amino-5-[4-(benzylamino)phenyl]-1H-pyrazole-4-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[4-(benzylamino)phenyl]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 4019262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).