N-[3-(cyclohexylamino)-3-oxopropyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide

C21H27FN4O2 — CID 55952465

IUPACN-[3-(cyclohexylamino)-3-oxopropyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCC(=O)NC2CCCCC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H27FN4O2/c1-2-19-18(14-24-26(19)17-10-8-15(22)9-11-17)21(28)23-13-12-20(27)25-16-6-4-3-5-7-16/h8-11,14,16H,2-7,12-13H2,1H3,(H,23,28)(H,25,27)
InChIKeyVABLBTUHKQMYMH-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.14
Rot. Bonds7

About N-[3-(cyclohexylamino)-3-oxopropyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide

N-[3-(cyclohexylamino)-3-oxopropyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 55952465) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is N-[3-(cyclohexylamino)-3-oxopropyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclohexylamino)-3-oxopropyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
PubChem CID55952465
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC NameN-[3-(cyclohexylamino)-3-oxopropyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCCC(=O)NC2CCCCC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C21H27FN4O2/c1-2-19-18(14-24-26(19)17-10-8-15(22)9-11-17)21(28)23-13-12-20(27)25-16-6-4-3-5-7-16/h8-11,14,16H,2-7,12-13H2,1H3,(H,23,28)(H,25,27)
InChIKeyVABLBTUHKQMYMH-UHFFFAOYSA-N
XLogP3.14
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119176883
5-ethyl-1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119511358
N-(3-ethoxypropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31889145
N-(3-aminopropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119406144
5-ethyl-1-(4-fluorophenyl)-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide
CID 60615723
5-ethyl-1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461346
2-[2-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241427
5-ethyl-1-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
CID 120947390
5-ethyl-N-(4-methylcyclohexyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46582332
5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55951612
5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide
CID 31891063
N-(2-amino-1-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 119614350

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[3-(cyclohexylamino)-3-oxopropyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide (CID 55952465) is N-[3-(cyclohexylamino)-3-oxopropyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(cyclohexylamino)-3-oxopropyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(cyclohexylamino)-3-oxopropyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide is CCc1c(C(=O)NCCC(=O)NC2CCCCC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[3-(cyclohexylamino)-3-oxopropyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is VABLBTUHKQMYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-2-19-18(14-24-26(19)17-10-8-15(22)9-11-17)21(28)23-13-12-20(27)25-16-6-4-3-5-7-16/h8-11,14,16H,2-7,12-13H2,1H3,(H,23,28)(H,25,27).
What are the key properties of N-[3-(cyclohexylamino)-3-oxopropyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
N-[3-(cyclohexylamino)-3-oxopropyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclohexylamino)-3-oxopropyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55952465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).