1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carbonitrile

C16H15N5 — CID 151524660

IUPAC1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carbonitrile
SMILESCc1cnn(Cc2ccc(Cn3ccc(C#N)n3)cc2)c1
InChIInChI=1S/C16H15N5/c1-13-9-18-21(10-13)12-15-4-2-14(3-5-15)11-20-7-6-16(8-17)19-20/h2-7,9-10H,11-12H2,1H3
InChIKeyPVEUJQRGOFLRLC-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.36
Rot. Bonds4

About 1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carbonitrile

1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carbonitrile (PubChem CID 151524660) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carbonitrile
PubChem CID151524660
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carbonitrile
SMILESCc1cnn(Cc2ccc(Cn3ccc(C#N)n3)cc2)c1
InChIInChI=1S/C16H15N5/c1-13-9-18-21(10-13)12-15-4-2-14(3-5-15)11-20-7-6-16(8-17)19-20/h2-7,9-10H,11-12H2,1H3
InChIKeyPVEUJQRGOFLRLC-UHFFFAOYSA-N
XLogP2.36
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methylbenzene-1,3-dicarboxylic acid;1-[(4-methylphenyl)methyl]pyrazole-3-carbonitrile
CID 174597996
trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane
CID 103438533
1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]triazole
CID 118871359
4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole
CID 134423680
2-chloro-5-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 60872723
1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone
CID 170580245
[4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol
CID 158250652
3-chloro-4-[(4-methylpyrazol-1-yl)methyl]benzonitrile
CID 102665656
2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 55091573
5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 170756022
1-(2-cyanoethyl)-1-cyclopropyl-3-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]urea
CID 71992220
4-iodo-1-[(4-methylphenyl)methyl]pyrazole
CID 15942918

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carbonitrile?
The IUPAC name of 1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carbonitrile (CID 151524660) is 1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carbonitrile.
What is the SMILES notation for 1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carbonitrile?
The canonical SMILES for 1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carbonitrile is Cc1cnn(Cc2ccc(Cn3ccc(C#N)n3)cc2)c1.
What is the InChIKey of 1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carbonitrile?
The InChIKey is PVEUJQRGOFLRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-13-9-18-21(10-13)12-15-4-2-14(3-5-15)11-20-7-6-16(8-17)19-20/h2-7,9-10H,11-12H2,1H3.
What are the key properties of 1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carbonitrile?
1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carbonitrile has a molecular weight of 277.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrazole-3-carbonitrile is sourced from PubChem (CID 151524660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).