5-amino-1-(5-phenylpentan-2-yl)pyrazole-4-carbonitrile

C15H18N4 — CID 15407141

IUPAC5-amino-1-(5-phenylpentan-2-yl)pyrazole-4-carbonitrile
SMILESCC(CCCc1ccccc1)n1ncc(C#N)c1N
InChIInChI=1S/C15H18N4/c1-12(19-15(17)14(10-16)11-18-19)6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9,17H2,1H3
InChIKeyWFPFSBOONBJQNX-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.92
Rot. Bonds5

About 5-amino-1-(5-phenylpentan-2-yl)pyrazole-4-carbonitrile

5-amino-1-(5-phenylpentan-2-yl)pyrazole-4-carbonitrile (PubChem CID 15407141) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 5-amino-1-(5-phenylpentan-2-yl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(5-phenylpentan-2-yl)pyrazole-4-carbonitrile
PubChem CID15407141
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name5-amino-1-(5-phenylpentan-2-yl)pyrazole-4-carbonitrile
SMILESCC(CCCc1ccccc1)n1ncc(C#N)c1N
InChIInChI=1S/C15H18N4/c1-12(19-15(17)14(10-16)11-18-19)6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9,17H2,1H3
InChIKeyWFPFSBOONBJQNX-UHFFFAOYSA-N
XLogP2.92
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-phenylpentan-2-yl)pyrazol-3-amine
CID 141003907
5-amino-1-(1-hydroxyethyl)pyrazole-4-carbonitrile
CID 22348328
5-amino-1-[(R)-diethoxyphosphoryl(phenyl)methyl]pyrazole-4-carbonitrile
CID 7820175
N,N-dimethyl-5-phenylpentan-2-amine
CID 12951765
3-amino-2-(3-phenylpropoxy)pyridine-4-carbonitrile
CID 82812776
[1-(1-ethylpyrazol-4-yl)-4-phenylbutyl]hydrazine
CID 105289896
N,3-dimethyl-6-phenylhexan-2-amine
CID 61485141
5-amino-3-benzyl-1-[(2S)-butan-2-yl]pyrazole-4-carbonitrile
CID 100762712
[(2R)-5-phenylpentan-2-yl]benzene
CID 143889057
6-phenyl-3-propan-2-ylhexan-2-ol
CID 62914612
2-methyl-7-phenylheptane-3,4-diol
CID 103456597
6-phenyl-3-propan-2-ylhexan-2-amine
CID 62915093

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(5-phenylpentan-2-yl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(5-phenylpentan-2-yl)pyrazole-4-carbonitrile (CID 15407141) is 5-amino-1-(5-phenylpentan-2-yl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(5-phenylpentan-2-yl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(5-phenylpentan-2-yl)pyrazole-4-carbonitrile is CC(CCCc1ccccc1)n1ncc(C#N)c1N.
What is the InChIKey of 5-amino-1-(5-phenylpentan-2-yl)pyrazole-4-carbonitrile?
The InChIKey is WFPFSBOONBJQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-12(19-15(17)14(10-16)11-18-19)6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11-12H,5-6,9,17H2,1H3.
What are the key properties of 5-amino-1-(5-phenylpentan-2-yl)pyrazole-4-carbonitrile?
5-amino-1-(5-phenylpentan-2-yl)pyrazole-4-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(5-phenylpentan-2-yl)pyrazole-4-carbonitrile is sourced from PubChem (CID 15407141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).