N-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide

C29H25N3OS — CID 93101162

IUPACN-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(-c3cccs3)cc2C(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C29H25N3OS/c1-21-10-8-15-24(18-21)32-27(20-26(31-32)28-16-9-17-34-28)29(33)30-25(23-13-6-3-7-14-23)19-22-11-4-2-5-12-22/h2-18,20,25H,19H2,1H3,(H,30,33)/t25-/m1/s1
InChIKeyYMMJBCBKKRRQSP-RUZDIDTESA-N
MW463.61 g/mol
LogP6.62
Rot. Bonds7

About N-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide

N-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 93101162) has the molecular formula C29H25N3OS and a molecular weight of 463.61 g/mol. Its IUPAC name is N-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID93101162
Molecular FormulaC29H25N3OS
Molecular Weight463.61 g/mol
Exact Mass463.17
IUPAC NameN-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(-c3cccs3)cc2C(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C29H25N3OS/c1-21-10-8-15-24(18-21)32-27(20-26(31-32)28-16-9-17-34-28)29(33)30-25(23-13-6-3-7-14-23)19-22-11-4-2-5-12-22/h2-18,20,25H,19H2,1H3,(H,30,33)/t25-/m1/s1
InChIKeyYMMJBCBKKRRQSP-RUZDIDTESA-N
XLogP6.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.61
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-5-(diethylamino)pentan-2-yl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7271222
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267659
1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267654
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7249590
N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692756
N-[2-(dimethylamino)ethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762105
diethyl-[(4R)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium
CID 7271219
diethyl-[(4S)-4-[[1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]amino]pentyl]azanium
CID 7271221
N-(furan-2-ylmethyl)-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762090
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 40551893
1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42758329
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide
CID 165387000

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide (CID 93101162) is N-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide is Cc1cccc(-n2nc(-c3cccs3)cc2C(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is YMMJBCBKKRRQSP-RUZDIDTESA-N. The full InChI is InChI=1S/C29H25N3OS/c1-21-10-8-15-24(18-21)32-27(20-26(31-32)28-16-9-17-34-28)29(33)30-25(23-13-6-3-7-14-23)19-22-11-4-2-5-12-22/h2-18,20,25H,19H2,1H3,(H,30,33)/t25-/m1/s1.
What are the key properties of N-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide?
N-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 463.61 g/mol, XLogP of 6.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2-diphenylethyl]-1-(3-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 93101162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).