4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine

C17H17N3 — CID 22408196

IUPAC4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine
SMILESCc1cccc(Cc2ccc(-c3cn[nH]c3N)cc2)c1
InChIInChI=1S/C17H17N3/c1-12-3-2-4-14(9-12)10-13-5-7-15(8-6-13)16-11-19-20-17(16)18/h2-9,11H,10H2,1H3,(H3,18,19,20)
InChIKeySHEYTOOXOFGLSW-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.56
Rot. Bonds3

About 4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine

4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine (PubChem CID 22408196) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine
PubChem CID22408196
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine
SMILESCc1cccc(Cc2ccc(-c3cn[nH]c3N)cc2)c1
InChIInChI=1S/C17H17N3/c1-12-3-2-4-14(9-12)10-13-5-7-15(8-6-13)16-11-19-20-17(16)18/h2-9,11H,10H2,1H3,(H3,18,19,20)
InChIKeySHEYTOOXOFGLSW-UHFFFAOYSA-N
XLogP3.56
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine?
The IUPAC name of 4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine (CID 22408196) is 4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine?
The canonical SMILES for 4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine is Cc1cccc(Cc2ccc(-c3cn[nH]c3N)cc2)c1.
What is the InChIKey of 4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine?
The InChIKey is SHEYTOOXOFGLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-3-2-4-14(9-12)10-13-5-7-15(8-6-13)16-11-19-20-17(16)18/h2-9,11H,10H2,1H3,(H3,18,19,20).
What are the key properties of 4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine?
4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine has a molecular weight of 263.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-methylphenyl)methyl]phenyl]-1H-pyrazol-5-amine is sourced from PubChem (CID 22408196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).