3-(4-tert-butylanilino)-5-methyl-1H-pyrazole-4-carbonitrile

C15H18N4 — CID 10491179

IUPAC3-(4-tert-butylanilino)-5-methyl-1H-pyrazole-4-carbonitrile
SMILESCc1[nH]nc(Nc2ccc(C(C)(C)C)cc2)c1C#N
InChIInChI=1S/C15H18N4/c1-10-13(9-16)14(19-18-10)17-12-7-5-11(6-8-12)15(2,3)4/h5-8H,1-4H3,(H2,17,18,19)
InChIKeySVBQOMCLSHWFIT-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.63
Rot. Bonds2

About 3-(4-tert-butylanilino)-5-methyl-1H-pyrazole-4-carbonitrile

3-(4-tert-butylanilino)-5-methyl-1H-pyrazole-4-carbonitrile (PubChem CID 10491179) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-(4-tert-butylanilino)-5-methyl-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-(4-tert-butylanilino)-5-methyl-1H-pyrazole-4-carbonitrile
PubChem CID10491179
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-(4-tert-butylanilino)-5-methyl-1H-pyrazole-4-carbonitrile
SMILESCc1[nH]nc(Nc2ccc(C(C)(C)C)cc2)c1C#N
InChIInChI=1S/C15H18N4/c1-10-13(9-16)14(19-18-10)17-12-7-5-11(6-8-12)15(2,3)4/h5-8H,1-4H3,(H2,17,18,19)
InChIKeySVBQOMCLSHWFIT-UHFFFAOYSA-N
XLogP3.63
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-5-(phenylamino)-1H-pyrazole-4-carbonitrile
CID 4164367
N2-(5-phenyl-1H-pyrazol-3-yl)benzene-1,2-diamine
CID 2423957
(5-methyl-4-nitro-1H-pyrazol-3-yl)-p-cumenyl-amine
CID 3845662
N-(4-tert-butylphenyl)-1H-indazol-3-amine
CID 51361059
2-chloro-3-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]benzonitrile
CID 91800723
5-Amino-3-(4-trifluoromethyl-phenylamino)-1H-pyrazole-4-carbonitrile
CID 10515945
5-Methyl-3-(4-trifluoromethyl-phenylamino)-1H-pyrazole-4-carbonitrile
CID 10825617
3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-amine
CID 2974132
5-Amino-3-cyanomethyl-1-p-tolyl-1H-pyrazole-4-carbonitrile
CID 2571112
5-amino-3-(4-fluoro-3-methylanilino)-1H-pyrazole-4-carbonitrile
CID 3582366
3-(4-Fluoro-phenylamino)-5-methyl-1H-pyrazole-4-carbonitrile
CID 10512886
5-Cyclopentyl-3-(4-trifluoromethyl-phenylamino)-1H-pyrazole-4-carbonitrile
CID 10519719

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylanilino)-5-methyl-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-(4-tert-butylanilino)-5-methyl-1H-pyrazole-4-carbonitrile (CID 10491179) is 3-(4-tert-butylanilino)-5-methyl-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-(4-tert-butylanilino)-5-methyl-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-(4-tert-butylanilino)-5-methyl-1H-pyrazole-4-carbonitrile is Cc1[nH]nc(Nc2ccc(C(C)(C)C)cc2)c1C#N.
What is the InChIKey of 3-(4-tert-butylanilino)-5-methyl-1H-pyrazole-4-carbonitrile?
The InChIKey is SVBQOMCLSHWFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10-13(9-16)14(19-18-10)17-12-7-5-11(6-8-12)15(2,3)4/h5-8H,1-4H3,(H2,17,18,19).
What are the key properties of 3-(4-tert-butylanilino)-5-methyl-1H-pyrazole-4-carbonitrile?
3-(4-tert-butylanilino)-5-methyl-1H-pyrazole-4-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylanilino)-5-methyl-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 10491179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).