5-amino-3-[(3-methylphenyl)methyl]-1-propan-2-ylpyrazole-4-carbonitrile

C15H18N4 — CID 100762285

IUPAC5-amino-3-[(3-methylphenyl)methyl]-1-propan-2-ylpyrazole-4-carbonitrile
SMILESCc1cccc(Cc2nn(C(C)C)c(N)c2C#N)c1
InChIInChI=1S/C15H18N4/c1-10(2)19-15(17)13(9-16)14(18-19)8-12-6-4-5-11(3)7-12/h4-7,10H,8,17H2,1-3H3
InChIKeyRKLHAJXWRPWIED-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.82
Rot. Bonds3

About 5-amino-3-[(3-methylphenyl)methyl]-1-propan-2-ylpyrazole-4-carbonitrile

5-amino-3-[(3-methylphenyl)methyl]-1-propan-2-ylpyrazole-4-carbonitrile (PubChem CID 100762285) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 5-amino-3-[(3-methylphenyl)methyl]-1-propan-2-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(3-methylphenyl)methyl]-1-propan-2-ylpyrazole-4-carbonitrile
PubChem CID100762285
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name5-amino-3-[(3-methylphenyl)methyl]-1-propan-2-ylpyrazole-4-carbonitrile
SMILESCc1cccc(Cc2nn(C(C)C)c(N)c2C#N)c1
InChIInChI=1S/C15H18N4/c1-10(2)19-15(17)13(9-16)14(18-19)8-12-6-4-5-11(3)7-12/h4-7,10H,8,17H2,1-3H3
InChIKeyRKLHAJXWRPWIED-UHFFFAOYSA-N
XLogP2.82
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1,3-bis[(3-methylphenyl)methyl]pyrazole-4-carbonitrile
CID 100765635
5-amino-3-benzyl-1-[(2S)-butan-2-yl]pyrazole-4-carbonitrile
CID 100762712
5-amino-3-(methoxymethyl)-1-propan-2-ylpyrazole-4-carbonitrile
CID 100762264
5-amino-1-ethyl-3-[(3-fluorophenyl)methyl]pyrazole-4-carbonitrile
CID 100762004
5-amino-3-[(3-methylphenyl)methoxy]-1-(2-methylpropyl)pyrazole-4-carbonitrile
CID 100763103
5-amino-1-benzyl-3-[(4-methylphenyl)methyl]pyrazole-4-carbonitrile
CID 100764085
5-amino-1-[(3-methylphenyl)methyl]-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102796480
4-amino-1,5-bis[(3-methylphenyl)methyl]pyrrole-2-carbonitrile
CID 100768333
4-amino-1-(2-methoxyethyl)-5-[(3-methylphenyl)methyl]pyrrole-2-carbonitrile
CID 100767744
2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 82223440
1-[3-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea
CID 58506752
5-amino-3-[(4-fluorophenyl)methoxy]-1-propan-2-ylpyrazole-4-carbonitrile
CID 100762355

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(3-methylphenyl)methyl]-1-propan-2-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(3-methylphenyl)methyl]-1-propan-2-ylpyrazole-4-carbonitrile (CID 100762285) is 5-amino-3-[(3-methylphenyl)methyl]-1-propan-2-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(3-methylphenyl)methyl]-1-propan-2-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(3-methylphenyl)methyl]-1-propan-2-ylpyrazole-4-carbonitrile is Cc1cccc(Cc2nn(C(C)C)c(N)c2C#N)c1.
What is the InChIKey of 5-amino-3-[(3-methylphenyl)methyl]-1-propan-2-ylpyrazole-4-carbonitrile?
The InChIKey is RKLHAJXWRPWIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-10(2)19-15(17)13(9-16)14(18-19)8-12-6-4-5-11(3)7-12/h4-7,10H,8,17H2,1-3H3.
What are the key properties of 5-amino-3-[(3-methylphenyl)methyl]-1-propan-2-ylpyrazole-4-carbonitrile?
5-amino-3-[(3-methylphenyl)methyl]-1-propan-2-ylpyrazole-4-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(3-methylphenyl)methyl]-1-propan-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 100762285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).