5-[1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide

C19H17FN4O2S — CID 45241409

IUPAC5-[1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C2CCCN2C(=O)c2cc(-c3ccccc3F)n[nH]2)s1
InChIInChI=1S/C19H17FN4O2S/c20-12-5-2-1-4-11(12)13-10-14(23-22-13)19(26)24-9-3-6-15(24)16-7-8-17(27-16)18(21)25/h1-2,4-5,7-8,10,15H,3,6,9H2,(H2,21,25)(H,22,23)
InChIKeySCEYGMYZTFQYBB-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.35
Rot. Bonds4

About 5-[1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide

5-[1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 45241409) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-[1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID45241409
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC Name5-[1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C2CCCN2C(=O)c2cc(-c3ccccc3F)n[nH]2)s1
InChIInChI=1S/C19H17FN4O2S/c20-12-5-2-1-4-11(12)13-10-14(23-22-13)19(26)24-9-3-6-15(24)16-7-8-17(27-16)18(21)25/h1-2,4-5,7-8,10,15H,3,6,9H2,(H2,21,25)(H,22,23)
InChIKeySCEYGMYZTFQYBB-UHFFFAOYSA-N
XLogP3.35
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 74239837
N-methyl-5-[1-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45236013
[2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 110120776
3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 175702087
5-[1-(4-oxochromene-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45180406
5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45205026
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96577939
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70756992
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 132779716
5-[(2S)-1-[2-(2-cyclopropylbenzimidazol-1-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 30956704
[3-(2-methylphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95317102
5-[(2S)-1-[5-(2-methylpropyl)-1,2-oxazole-3-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 95136573

Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide (CID 45241409) is 5-[1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide is NC(=O)c1ccc(C2CCCN2C(=O)c2cc(-c3ccccc3F)n[nH]2)s1.
What is the InChIKey of 5-[1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is SCEYGMYZTFQYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c20-12-5-2-1-4-11(12)13-10-14(23-22-13)19(26)24-9-3-6-15(24)16-7-8-17(27-16)18(21)25/h1-2,4-5,7-8,10,15H,3,6,9H2,(H2,21,25)(H,22,23).
What are the key properties of 5-[1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
5-[1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(2-fluorophenyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45241409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).