4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine

C17H17N3 — CID 29060877

IUPAC4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine
SMILESCc1cnn(Cc2ccc(-c3ccccc3)cc2)c1N
InChIInChI=1S/C17H17N3/c1-13-11-19-20(17(13)18)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11H,12,18H2,1H3
InChIKeyUWCWIBBPOQPQIC-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.49
Rot. Bonds3

About 4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine

4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine (PubChem CID 29060877) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine
PubChem CID29060877
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine
SMILESCc1cnn(Cc2ccc(-c3ccccc3)cc2)c1N
InChIInChI=1S/C17H17N3/c1-13-11-19-20(17(13)18)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11H,12,18H2,1H3
InChIKeyUWCWIBBPOQPQIC-UHFFFAOYSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-(2-phenylethyl)pyrazol-5-amine
CID 43148141
4-methyl-1-(pyrimidin-5-ylmethyl)pyrazol-5-amine
CID 130964491
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrazol-5-amine
CID 114936958
1-benzyl-4-propan-2-ylpyrazol-5-amine
CID 126480379
7-methyl-1-[(4-phenylphenyl)methyl]-5-prop-1-ynylindazole
CID 167249161
ethyl 5-amino-1-benzylpyrazole-4-carboxylate
CID 785810
1-[(4-methylphenyl)methyl]-5-phenylpyrazole-4-carbaldehyde
CID 61368147
1-(1-benzofuran-3-ylmethyl)-4-methylpyrazol-5-amine
CID 80703408
4-[(2-methyl-3-phenylindolizin-4-ium-1-ylidene)amino]-1-[(4-methylphenyl)methyl]pyrazol-5-amine
CID 58971111
1-[(6-methoxy-2-pyridinyl)methyl]-4-methylpyrazol-5-amine
CID 103347745
4-chloro-1-[(6-methyl-3-pyridinyl)methyl]pyrazol-5-amine
CID 104822090
2-benzyl-5-phenylpyridazin-3-one
CID 71418083

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine?
The IUPAC name of 4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine (CID 29060877) is 4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine.
What is the SMILES notation for 4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine?
The canonical SMILES for 4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine is Cc1cnn(Cc2ccc(-c3ccccc3)cc2)c1N.
What is the InChIKey of 4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine?
The InChIKey is UWCWIBBPOQPQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13-11-19-20(17(13)18)12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11H,12,18H2,1H3.
What are the key properties of 4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine?
4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine has a molecular weight of 263.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(4-phenylphenyl)methyl]pyrazol-5-amine is sourced from PubChem (CID 29060877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).