N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide

C18H17FN4OS — CID 99741546

IUPACN-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESO=C(N[C@H]1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cccs1
InChIInChI=1S/C18H17FN4OS/c19-13-5-3-12(4-6-13)15-10-17(22-21-15)23-8-7-14(11-23)20-18(24)16-2-1-9-25-16/h1-6,9-10,14H,7-8,11H2,(H,20,24)(H,21,22)/t14-/m0/s1
InChIKeyLGHQEDOBMHSDKL-AWEZNQCLSA-N
MW356.43 g/mol
LogP3.29
Rot. Bonds4

About N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide

N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 99741546) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID99741546
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC NameN-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESO=C(N[C@H]1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cccs1
InChIInChI=1S/C18H17FN4OS/c19-13-5-3-12(4-6-13)15-10-17(22-21-15)23-8-7-14(11-23)20-18(24)16-2-1-9-25-16/h1-6,9-10,14H,7-8,11H2,(H,20,24)(H,21,22)/t14-/m0/s1
InChIKeyLGHQEDOBMHSDKL-AWEZNQCLSA-N
XLogP3.29
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 99741667
3-fluoro-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741564
2-chloro-5-fluoro-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 91888099
3-chloro-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741552
2-(4-fluorophenyl)-N-[(3S)-1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]acetamide
CID 99741748
3-(dimethylamino)-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741585
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528231
2-(3-fluorophenyl)-N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]acetamide
CID 99741612
3-fluoro-N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 99740991
5-methyl-N-[(3S)-1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 99741238
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 91904890
5-methyl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 91914597

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide (CID 99741546) is N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide is O=C(N[C@H]1CCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1cccs1.
What is the InChIKey of N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is LGHQEDOBMHSDKL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17FN4OS/c19-13-5-3-12(4-6-13)15-10-17(22-21-15)23-8-7-14(11-23)20-18(24)16-2-1-9-25-16/h1-6,9-10,14H,7-8,11H2,(H,20,24)(H,21,22)/t14-/m0/s1.
What are the key properties of N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide?
N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 99741546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).