(3-anilinopyrrolidin-1-yl)-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]methanone

C18H17ClN4OS — CID 126779570

IUPAC(3-anilinopyrrolidin-1-yl)-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCC(Nc2ccccc2)C1
InChIInChI=1S/C18H17ClN4OS/c19-16-7-6-15(25-16)17-14(10-20-22-17)18(24)23-9-8-13(11-23)21-12-4-2-1-3-5-12/h1-7,10,13,21H,8-9,11H2,(H,20,22)
InChIKeyVUDURJRAUFKZJX-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.12
Rot. Bonds4

About (3-anilinopyrrolidin-1-yl)-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]methanone

(3-anilinopyrrolidin-1-yl)-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]methanone (PubChem CID 126779570) has the molecular formula C18H17ClN4OS and a molecular weight of 372.88 g/mol. Its IUPAC name is (3-anilinopyrrolidin-1-yl)-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(3-anilinopyrrolidin-1-yl)-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]methanone
PubChem CID126779570
Molecular FormulaC18H17ClN4OS
Molecular Weight372.88 g/mol
Exact Mass372.08
IUPAC Name(3-anilinopyrrolidin-1-yl)-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCC(Nc2ccccc2)C1
InChIInChI=1S/C18H17ClN4OS/c19-16-7-6-15(25-16)17-14(10-20-22-17)18(24)23-9-8-13(11-23)21-12-4-2-1-3-5-12/h1-7,10,13,21H,8-9,11H2,(H,20,22)
InChIKeyVUDURJRAUFKZJX-UHFFFAOYSA-N
XLogP4.12
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-[5-(5-chlorothiophen-2-yl)-1H-pyrazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 164642733
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 79030002
(3S)-1-(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
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[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-[4-(methylamino)piperidin-1-yl]methanone
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[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
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[3-(4-fluoroanilino)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
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[(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 97082738
3-(3-anilinopyrrolidine-1-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 154798042
(3-anilinopyrrolidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (3-anilinopyrrolidin-1-yl)-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of (3-anilinopyrrolidin-1-yl)-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]methanone (CID 126779570) is (3-anilinopyrrolidin-1-yl)-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for (3-anilinopyrrolidin-1-yl)-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for (3-anilinopyrrolidin-1-yl)-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]methanone is O=C(c1cn[nH]c1-c1ccc(Cl)s1)N1CCC(Nc2ccccc2)C1.
What is the InChIKey of (3-anilinopyrrolidin-1-yl)-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]methanone?
The InChIKey is VUDURJRAUFKZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4OS/c19-16-7-6-15(25-16)17-14(10-20-22-17)18(24)23-9-8-13(11-23)21-12-4-2-1-3-5-12/h1-7,10,13,21H,8-9,11H2,(H,20,22).
What are the key properties of (3-anilinopyrrolidin-1-yl)-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]methanone?
(3-anilinopyrrolidin-1-yl)-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]methanone has a molecular weight of 372.88 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-anilinopyrrolidin-1-yl)-[5-(5-chlorothiophen-2-yl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 126779570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).