(2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol

C20H23N3O — CID 47624262

IUPAC(2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol
SMILESCc1ccccc1-c1nn(-c2ccccc2)cc1CN[C@H](C)CO
InChIInChI=1S/C20H23N3O/c1-15-8-6-7-11-19(15)20-17(12-21-16(2)14-24)13-23(22-20)18-9-4-3-5-10-18/h3-11,13,16,21,24H,12,14H2,1-2H3/t16-/m1/s1
InChIKeyQSZWRCNMSLAETN-MRXNPFEDSA-N
MW321.42 g/mol
LogP3.32
Rot. Bonds6

About (2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol

(2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol (PubChem CID 47624262) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is (2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol
PubChem CID47624262
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name(2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol
SMILESCc1ccccc1-c1nn(-c2ccccc2)cc1CN[C@H](C)CO
InChIInChI=1S/C20H23N3O/c1-15-8-6-7-11-19(15)20-17(12-21-16(2)14-24)13-23(22-20)18-9-4-3-5-10-18/h3-11,13,16,21,24H,12,14H2,1-2H3/t16-/m1/s1
InChIKeyQSZWRCNMSLAETN-MRXNPFEDSA-N
XLogP3.32
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylamino]butan-1-ol
CID 111436843
1-[3-(2,4-dimethylphenyl)-1-phenylpyrazol-4-yl]-N-methylmethanamine
CID 31738776
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine
CID 119125373
2-methyl-3-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]propan-1-ol
CID 110905987
(2S)-4-phenyl-N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine
CID 41047282
2-(furan-2-yl)-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]ethanol
CID 111470542
N-(1-hydroxypropan-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 78856855
3-(2-methylphenyl)-1-phenyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide
CID 146089712
4-methyl-2-[(3-methyl-1-phenylpyrazol-4-yl)methylamino]pentanoic acid
CID 120510085
(2R)-2-[(1,3-diphenylpyrazol-4-yl)methylamino]-3-methylsulfanylpropanoic acid
CID 46901840
2-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylamino]propanoic acid
CID 120913301
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 24676373

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol (CID 47624262) is (2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol is Cc1ccccc1-c1nn(-c2ccccc2)cc1CN[C@H](C)CO.
What is the InChIKey of (2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol?
The InChIKey is QSZWRCNMSLAETN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15-8-6-7-11-19(15)20-17(12-21-16(2)14-24)13-23(22-20)18-9-4-3-5-10-18/h3-11,13,16,21,24H,12,14H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol?
(2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol has a molecular weight of 321.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(2-methylphenyl)-1-phenylpyrazol-4-yl]methylamino]propan-1-ol is sourced from PubChem (CID 47624262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).