3-(4-amino-5-cyclopropylpyrazol-1-yl)benzonitrile

C13H12N4 — CID 66441630

IUPAC3-(4-amino-5-cyclopropylpyrazol-1-yl)benzonitrile
SMILESN#Cc1cccc(-n2ncc(N)c2C2CC2)c1
InChIInChI=1S/C13H12N4/c14-7-9-2-1-3-11(6-9)17-13(10-4-5-10)12(15)8-16-17/h1-3,6,8,10H,4-5,15H2
InChIKeyXVAOIQMAKYHXGA-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.20
Rot. Bonds2

About 3-(4-amino-5-cyclopropylpyrazol-1-yl)benzonitrile

3-(4-amino-5-cyclopropylpyrazol-1-yl)benzonitrile (PubChem CID 66441630) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-(4-amino-5-cyclopropylpyrazol-1-yl)benzonitrile.

Molecular Properties

Compound Name3-(4-amino-5-cyclopropylpyrazol-1-yl)benzonitrile
PubChem CID66441630
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name3-(4-amino-5-cyclopropylpyrazol-1-yl)benzonitrile
SMILESN#Cc1cccc(-n2ncc(N)c2C2CC2)c1
InChIInChI=1S/C13H12N4/c14-7-9-2-1-3-11(6-9)17-13(10-4-5-10)12(15)8-16-17/h1-3,6,8,10H,4-5,15H2
InChIKeyXVAOIQMAKYHXGA-UHFFFAOYSA-N
XLogP2.20
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-5-cyclopropylpyrazol-1-yl)benzonitrile?
The IUPAC name of 3-(4-amino-5-cyclopropylpyrazol-1-yl)benzonitrile (CID 66441630) is 3-(4-amino-5-cyclopropylpyrazol-1-yl)benzonitrile.
What is the SMILES notation for 3-(4-amino-5-cyclopropylpyrazol-1-yl)benzonitrile?
The canonical SMILES for 3-(4-amino-5-cyclopropylpyrazol-1-yl)benzonitrile is N#Cc1cccc(-n2ncc(N)c2C2CC2)c1.
What is the InChIKey of 3-(4-amino-5-cyclopropylpyrazol-1-yl)benzonitrile?
The InChIKey is XVAOIQMAKYHXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-7-9-2-1-3-11(6-9)17-13(10-4-5-10)12(15)8-16-17/h1-3,6,8,10H,4-5,15H2.
What are the key properties of 3-(4-amino-5-cyclopropylpyrazol-1-yl)benzonitrile?
3-(4-amino-5-cyclopropylpyrazol-1-yl)benzonitrile has a molecular weight of 224.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-5-cyclopropylpyrazol-1-yl)benzonitrile is sourced from PubChem (CID 66441630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).