N-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide

C21H26FN5O2 — CID 47924929

IUPACN-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C21H26FN5O2/c22-16-5-4-8-18(15-16)27-10-9-19(24-27)20(28)25-11-13-26(14-12-25)21(29)23-17-6-2-1-3-7-17/h4-5,8-10,15,17H,1-3,6-7,11-14H2,(H,23,29)
InChIKeyRELYFJBRODUVQI-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.81
Rot. Bonds3

About N-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide

N-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide (PubChem CID 47924929) has the molecular formula C21H26FN5O2 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide
PubChem CID47924929
Molecular FormulaC21H26FN5O2
Molecular Weight399.47 g/mol
Exact Mass399.21
IUPAC NameN-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C21H26FN5O2/c22-16-5-4-8-18(15-16)27-10-9-19(24-27)20(28)25-11-13-26(14-12-25)21(29)23-17-6-2-1-3-7-17/h4-5,8-10,15,17H,1-3,6-7,11-14H2,(H,23,29)
InChIKeyRELYFJBRODUVQI-UHFFFAOYSA-N
XLogP2.81
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperidin-3-yl]acetamide
CID 94801589
[4-(cyclopropylmethyl)piperazin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47076704
N-[3-(cyclohexylamino)-3-oxopropyl]-1-(3-fluorophenyl)pyrazole-3-carboxamide
CID 47894388
[1-(3-fluorophenyl)pyrazol-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95583484
(4-benzylpiperazin-1-yl)-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 47844771
[1-(3-fluorophenyl)pyrazol-3-yl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023506
[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 124573470
N-cyclohexyl-4-(2,6-difluorobenzoyl)piperazine-1-carboxamide
CID 47784765
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129428155
[1-(3-fluorophenyl)pyrazol-3-yl]-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124687400
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[1-(3-fluorophenyl)pyrazol-3-yl]methanone
CID 124569387
[1-(3-fluorophenyl)pyrazol-3-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 47894993

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide (CID 47924929) is N-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(C(=O)c2ccn(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of N-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide?
The InChIKey is RELYFJBRODUVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O2/c22-16-5-4-8-18(15-16)27-10-9-19(24-27)20(28)25-11-13-26(14-12-25)21(29)23-17-6-2-1-3-7-17/h4-5,8-10,15,17H,1-3,6-7,11-14H2,(H,23,29).
What are the key properties of N-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide?
N-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[1-(3-fluorophenyl)pyrazole-3-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 47924929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).