N-cyclohexyl-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxamide

C23H30FN5O2 — CID 55568581

IUPACN-cyclohexyl-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C23H30FN5O2/c1-16-21(17(2)29(26-16)20-10-8-18(24)9-11-20)22(30)27-12-14-28(15-13-27)23(31)25-19-6-4-3-5-7-19/h8-11,19H,3-7,12-15H2,1-2H3,(H,25,31)
InChIKeyATLXDSIGFCAAPP-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.43
Rot. Bonds3

About N-cyclohexyl-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxamide

N-cyclohexyl-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxamide (PubChem CID 55568581) has the molecular formula C23H30FN5O2 and a molecular weight of 427.52 g/mol. Its IUPAC name is N-cyclohexyl-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxamide
PubChem CID55568581
Molecular FormulaC23H30FN5O2
Molecular Weight427.52 g/mol
Exact Mass427.24
IUPAC NameN-cyclohexyl-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxamide
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C23H30FN5O2/c1-16-21(17(2)29(26-16)20-10-8-18(24)9-11-20)22(30)27-12-14-28(15-13-27)23(31)25-19-6-4-3-5-7-19/h8-11,19H,3-7,12-15H2,1-2H3,(H,25,31)
InChIKeyATLXDSIGFCAAPP-UHFFFAOYSA-N
XLogP3.43
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491020
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78804335
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402164
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694964
[1-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 55811317
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 8899117
[3-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanone
CID 119595022
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 60593051
N-cyclopentyl-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 46489384
1-(4-fluorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 134000355
N-cyclohexyl-4-[5-(4-fluorophenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carbonyl]piperazine-1-carboxamide
CID 42666402
N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119477007

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxamide (CID 55568581) is N-cyclohexyl-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxamide is Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxamide?
The InChIKey is ATLXDSIGFCAAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN5O2/c1-16-21(17(2)29(26-16)20-10-8-18(24)9-11-20)22(30)27-12-14-28(15-13-27)23(31)25-19-6-4-3-5-7-19/h8-11,19H,3-7,12-15H2,1-2H3,(H,25,31).
What are the key properties of N-cyclohexyl-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxamide?
N-cyclohexyl-4-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxamide has a molecular weight of 427.52 g/mol, XLogP of 3.43, 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-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazine-1-carboxamide is sourced from PubChem (CID 55568581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).