4-[3-(2-methylpropylamino)-1H-pyrazol-5-yl]benzonitrile

C14H16N4 — CID 63049531

IUPAC4-[3-(2-methylpropylamino)-1H-pyrazol-5-yl]benzonitrile
SMILESCC(C)CNc1cc(-c2ccc(C#N)cc2)[nH]n1
InChIInChI=1S/C14H16N4/c1-10(2)9-16-14-7-13(17-18-14)12-5-3-11(8-15)4-6-12/h3-7,10H,9H2,1-2H3,(H2,16,17,18)
InChIKeyDZLDWAWOHGDFBX-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.02
Rot. Bonds4

About 4-[3-(2-methylpropylamino)-1H-pyrazol-5-yl]benzonitrile

4-[3-(2-methylpropylamino)-1H-pyrazol-5-yl]benzonitrile (PubChem CID 63049531) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-[3-(2-methylpropylamino)-1H-pyrazol-5-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(2-methylpropylamino)-1H-pyrazol-5-yl]benzonitrile
PubChem CID63049531
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name4-[3-(2-methylpropylamino)-1H-pyrazol-5-yl]benzonitrile
SMILESCC(C)CNc1cc(-c2ccc(C#N)cc2)[nH]n1
InChIInChI=1S/C14H16N4/c1-10(2)9-16-14-7-13(17-18-14)12-5-3-11(8-15)4-6-12/h3-7,10H,9H2,1-2H3,(H2,16,17,18)
InChIKeyDZLDWAWOHGDFBX-UHFFFAOYSA-N
XLogP3.02
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropylamino)pyridine-4-carbonitrile
CID 24707878
4-[3-(cyclopropylamino)-1H-pyrazol-5-yl]benzonitrile
CID 63048314
N-(2-methylpropyl)-5-(5-methylthiophen-2-yl)-1H-pyrazol-3-amine
CID 63049372
5-(2,5-dimethylphenyl)-N-(2-methylpropyl)-1H-pyrazol-3-amine
CID 63049705
N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
CID 59363907
4-[4-[(2-methylpropylamino)methyl]-1H-pyrazol-5-yl]benzonitrile
CID 79484688
2,2-dimethyl-N,N'-bis[5-(4-methylphenyl)-1H-pyrazol-3-yl]propane-1,3-diamine
CID 24954229
4-(2-methylpropylamino)quinazoline-6-carbonitrile
CID 56942486
4-[2-[2-(tert-butylamino)ethyl]-1H-imidazol-5-yl]benzonitrile
CID 60850121
4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]benzonitrile
CID 60965226
1-[3-(4-phenylphenyl)-1H-pyrazol-5-yl]-N'-[5-(4-phenylphenyl)-1H-pyrazol-3-yl]ethane-1,2-diamine
CID 68667460
3-cyano-N-[N-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-N'-[(2S)-1-methoxypropan-2-yl]carbamimidoyl]benzamide
CID 126625746

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpropylamino)-1H-pyrazol-5-yl]benzonitrile?
The IUPAC name of 4-[3-(2-methylpropylamino)-1H-pyrazol-5-yl]benzonitrile (CID 63049531) is 4-[3-(2-methylpropylamino)-1H-pyrazol-5-yl]benzonitrile.
What is the SMILES notation for 4-[3-(2-methylpropylamino)-1H-pyrazol-5-yl]benzonitrile?
The canonical SMILES for 4-[3-(2-methylpropylamino)-1H-pyrazol-5-yl]benzonitrile is CC(C)CNc1cc(-c2ccc(C#N)cc2)[nH]n1.
What is the InChIKey of 4-[3-(2-methylpropylamino)-1H-pyrazol-5-yl]benzonitrile?
The InChIKey is DZLDWAWOHGDFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10(2)9-16-14-7-13(17-18-14)12-5-3-11(8-15)4-6-12/h3-7,10H,9H2,1-2H3,(H2,16,17,18).
What are the key properties of 4-[3-(2-methylpropylamino)-1H-pyrazol-5-yl]benzonitrile?
4-[3-(2-methylpropylamino)-1H-pyrazol-5-yl]benzonitrile has a molecular weight of 240.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpropylamino)-1H-pyrazol-5-yl]benzonitrile is sourced from PubChem (CID 63049531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).