N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

C26H24N4O2S — CID 17475464

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C26H24N4O2S/c31-25(22-13-7-15-29(22)26(32)23-14-8-16-33-23)27-17-20-18-30(21-11-5-2-6-12-21)28-24(20)19-9-3-1-4-10-19/h1-6,8-12,14,16,18,22H,7,13,15,17H2,(H,27,31)
InChIKeyMMYAOBAZAGLOKJ-UHFFFAOYSA-N
MW456.57 g/mol
LogP4.52
Rot. Bonds6

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 17475464) has the molecular formula C26H24N4O2S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID17475464
Molecular FormulaC26H24N4O2S
Molecular Weight456.57 g/mol
Exact Mass456.16
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C26H24N4O2S/c31-25(22-13-7-15-29(22)26(32)23-14-8-16-33-23)27-17-20-18-30(21-11-5-2-6-12-21)28-24(20)19-9-3-1-4-10-19/h1-6,8-12,14,16,18,22H,7,13,15,17H2,(H,27,31)
InChIKeyMMYAOBAZAGLOKJ-UHFFFAOYSA-N
XLogP4.52
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17406464
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55429498
N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17431239
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557063
N-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]cyclobutanecarboxamide
CID 49013807
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
(2S)-N-(pyridin-4-ylmethyl)-1-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 53300888
1-(cyclopropanecarbonyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 27864196
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 42945062
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 25347508

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide (CID 17475464) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)C1CCCN1C(=O)c1cccs1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is MMYAOBAZAGLOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2S/c31-25(22-13-7-15-29(22)26(32)23-14-8-16-33-23)27-17-20-18-30(21-11-5-2-6-12-21)28-24(20)19-9-3-1-4-10-19/h1-6,8-12,14,16,18,22H,7,13,15,17H2,(H,27,31).
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 17475464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).