N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide

C16H17F3N4O2S — CID 67987669

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1
InChIInChI=1S/C16H17F3N4O2S/c17-16(18,19)13-9-10(21-22-13)11-4-5-12(26-11)15(25)20-6-2-8-23-7-1-3-14(23)24/h4-5,9H,1-3,6-8H2,(H,20,25)(H,21,22)
InChIKeyAPKWDFPKUFXRKI-UHFFFAOYSA-N
MW386.40 g/mol
LogP2.90
Rot. Bonds6

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 67987669) has the molecular formula C16H17F3N4O2S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID67987669
Molecular FormulaC16H17F3N4O2S
Molecular Weight386.40 g/mol
Exact Mass386.10
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1
InChIInChI=1S/C16H17F3N4O2S/c17-16(18,19)13-9-10(21-22-13)11-4-5-12(26-11)15(25)20-6-2-8-23-7-1-3-14(23)24/h4-5,9H,1-3,6-8H2,(H,20,25)(H,21,22)
InChIKeyAPKWDFPKUFXRKI-UHFFFAOYSA-N
XLogP2.90
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[2-[3-(1-hydroxyethyl)anilino]pyrimidin-4-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]thiophene-2-carboxamide
CID 59468445
1-[5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carbonyl]piperidin-4-one
CID 71166134
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,5-bis(trifluoromethyl)benzamide
CID 78777407
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 117093615
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2,3-benzothiadiazole-5-carboxamide
CID 6620451
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 176776996
6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 62233313
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide
CID 42992469
2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide
CID 71791436
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63048000

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide (CID 67987669) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide is O=C(NCCCN1CCCC1=O)c1ccc(-c2cc(C(F)(F)F)[nH]n2)s1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is APKWDFPKUFXRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2S/c17-16(18,19)13-9-10(21-22-13)11-4-5-12(26-11)15(25)20-6-2-8-23-7-1-3-14(23)24/h4-5,9H,1-3,6-8H2,(H,20,25)(H,21,22).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 67987669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).