N-cycloheptyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide

C27H32FN5O2 — CID 20915402

IUPACN-cycloheptyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1
InChIInChI=1S/C27H32FN5O2/c28-21-11-13-23(14-12-21)33-26(31-15-5-6-16-31)24(18-29-33)27(35)32-17-7-8-20(19-32)25(34)30-22-9-3-1-2-4-10-22/h5-6,11-16,18,20,22H,1-4,7-10,17,19H2,(H,30,34)
InChIKeyOQWFMTYMVKPJTM-UHFFFAOYSA-N
MW477.58 g/mol
LogP4.49
Rot. Bonds5

About N-cycloheptyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide

N-cycloheptyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide (PubChem CID 20915402) has the molecular formula C27H32FN5O2 and a molecular weight of 477.58 g/mol. Its IUPAC name is N-cycloheptyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide
PubChem CID20915402
Molecular FormulaC27H32FN5O2
Molecular Weight477.58 g/mol
Exact Mass477.25
IUPAC NameN-cycloheptyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1
InChIInChI=1S/C27H32FN5O2/c28-21-11-13-23(14-12-21)33-26(31-15-5-6-16-31)24(18-29-33)27(35)32-17-7-8-20(19-32)25(34)30-22-9-3-1-2-4-10-22/h5-6,11-16,18,20,22H,1-4,7-10,17,19H2,(H,30,34)
InChIKeyOQWFMTYMVKPJTM-UHFFFAOYSA-N
XLogP4.49
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide
CID 20915404
ethyl (3S)-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxylate
CID 29227904
(4-cyclohexylpiperazin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 20915390
(3S)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 92668626
(3-anilinopyrrolidin-1-yl)-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]methanone
CID 56533382
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
N-[(4-methylphenyl)methyl]-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 20892874
(3R)-N-(4-ethylphenyl)-1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 92668645
[1-(4-methylphenyl)-5-pyrrol-1-ylpyrazol-4-yl]-piperidin-1-ylmethanone
CID 20915110
ethyl (3S)-1-[1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxylate
CID 92707464
ethyl 1-(1-phenyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidine-3-carboxylate
CID 20914930
[4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 78848478

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide (CID 20915402) is N-cycloheptyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide is O=C(NC1CCCCCC1)C1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1.
What is the InChIKey of N-cycloheptyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide?
The InChIKey is OQWFMTYMVKPJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O2/c28-21-11-13-23(14-12-21)33-26(31-15-5-6-16-31)24(18-29-33)27(35)32-17-7-8-20(19-32)25(34)30-22-9-3-1-2-4-10-22/h5-6,11-16,18,20,22H,1-4,7-10,17,19H2,(H,30,34).
What are the key properties of N-cycloheptyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide?
N-cycloheptyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide has a molecular weight of 477.58 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 20915402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).