(3-anilinopyrrolidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone

C24H22FN5O — CID 56533382

IUPAC(3-anilinopyrrolidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
SMILESO=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCC(Nc2ccccc2)C1
InChIInChI=1S/C24H22FN5O/c25-18-8-10-21(11-9-18)30-23(28-13-4-5-14-28)22(16-26-30)24(31)29-15-12-20(17-29)27-19-6-2-1-3-7-19/h1-11,13-14,16,20,27H,12,15,17H2
InChIKeyUBESDZQIFRGJOU-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.13
Rot. Bonds5

About (3-anilinopyrrolidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone

(3-anilinopyrrolidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone (PubChem CID 56533382) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is (3-anilinopyrrolidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name(3-anilinopyrrolidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
PubChem CID56533382
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name(3-anilinopyrrolidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
SMILESO=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCC(Nc2ccccc2)C1
InChIInChI=1S/C24H22FN5O/c25-18-8-10-21(11-9-18)30-23(28-13-4-5-14-28)22(16-26-30)24(31)29-15-12-20(17-29)27-19-6-2-1-3-7-19/h1-11,13-14,16,20,27H,12,15,17H2
InChIKeyUBESDZQIFRGJOU-UHFFFAOYSA-N
XLogP4.13
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 20915402
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N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide
CID 20915404
[4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 78848478
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 55550996
ethyl (3S)-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxylate
CID 29227904
[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-(4-methylpiperidin-1-yl)methanone
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(3-anilinopyrrolidin-1-yl)-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 56503058
(3,5-dimethylpiperidin-1-yl)-[1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]methanone
CID 20892795
N-butyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]-N-methylpiperidine-4-carboxamide
CID 52666453
1-[1-(4-bromophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-4-carboxamide
CID 30388139
1-(4-fluorophenyl)-N-phenylmethoxy-5-pyrrol-1-ylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3-anilinopyrrolidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The IUPAC name of (3-anilinopyrrolidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone (CID 56533382) is (3-anilinopyrrolidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone.
What is the SMILES notation for (3-anilinopyrrolidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The canonical SMILES for (3-anilinopyrrolidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone is O=C(c1cnn(-c2ccc(F)cc2)c1-n1cccc1)N1CCC(Nc2ccccc2)C1.
What is the InChIKey of (3-anilinopyrrolidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
The InChIKey is UBESDZQIFRGJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c25-18-8-10-21(11-9-18)30-23(28-13-4-5-14-28)22(16-26-30)24(31)29-15-12-20(17-29)27-19-6-2-1-3-7-19/h1-11,13-14,16,20,27H,12,15,17H2.
What are the key properties of (3-anilinopyrrolidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone?
(3-anilinopyrrolidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone has a molecular weight of 415.47 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-anilinopyrrolidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone is sourced from PubChem (CID 56533382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).