N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide

C24H23N3OS — CID 4274947

IUPACN-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCn1nc(-c2cccs2)cc1C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23N3OS/c1-27-22(17-21(26-27)23-13-8-16-29-23)24(28)25-15-14-20(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-13,16-17,20H,14-15H2,1H3,(H,25,28)
InChIKeyBVIKPDYQDBHDKP-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.10
Rot. Bonds7

About N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide

N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide (PubChem CID 4274947) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
PubChem CID4274947
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC NameN-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
SMILESCn1nc(-c2cccs2)cc1C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H23N3OS/c1-27-22(17-21(26-27)23-13-8-16-29-23)24(28)25-15-14-20(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-13,16-17,20H,14-15H2,1H3,(H,25,28)
InChIKeyBVIKPDYQDBHDKP-UHFFFAOYSA-N
XLogP5.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(pyridin-2-ylmethyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762181
1-methyl-3-thiophen-2-yl-N-[3-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide
CID 91773983
N-[5-(diethylamino)pentan-2-yl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762160
N-cyclohexyl-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762130
1-(4-chlorophenyl)-N-(3-methylbutyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3468466
1-methyl-N-[2-[(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122308676
1-methyl-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122294976
1-methyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122327656
1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812762
1-methyl-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 71805067
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122293158
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122322316

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide (CID 4274947) is N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide is Cn1nc(-c2cccs2)cc1C(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide?
The InChIKey is BVIKPDYQDBHDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-27-22(17-21(26-27)23-13-8-16-29-23)24(28)25-15-14-20(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-13,16-17,20H,14-15H2,1H3,(H,25,28).
What are the key properties of N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide?
N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide has a molecular weight of 401.54 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-1-methyl-3-thiophen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 4274947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).