N-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride

C21H30ClFN4O — CID 119590449

IUPACN-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
SMILESCC(C)c1c(C(=O)NC(CN)C2CCCCC2)cnn1-c1ccc(F)cc1.Cl
InChIInChI=1S/C21H29FN4O.ClH/c1-14(2)20-18(13-24-26(20)17-10-8-16(22)9-11-17)21(27)25-19(12-23)15-6-4-3-5-7-15;/h8-11,13-15,19H,3-7,12,23H2,1-2H3,(H,25,27);1H
InChIKeySYDCKOZPSUWXCX-UHFFFAOYSA-N
MW408.95 g/mol
LogP4.19
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119590449) has the molecular formula C21H30ClFN4O and a molecular weight of 408.95 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID119590449
Molecular FormulaC21H30ClFN4O
Molecular Weight408.95 g/mol
Exact Mass408.21
IUPAC NameN-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
SMILESCC(C)c1c(C(=O)NC(CN)C2CCCCC2)cnn1-c1ccc(F)cc1.Cl
InChIInChI=1S/C21H29FN4O.ClH/c1-14(2)20-18(13-24-26(20)17-10-8-16(22)9-11-17)21(27)25-19(12-23)15-6-4-3-5-7-15;/h8-11,13-15,19H,3-7,12,23H2,1-2H3,(H,25,27);1H
InChIKeySYDCKOZPSUWXCX-UHFFFAOYSA-N
XLogP4.19
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.95
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[2-(aminomethyl)cyclopentyl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
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N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
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CID 119998270
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CID 46454828
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N-(2-amino-1-cyclohexylethyl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 119590475
N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31882537
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride (CID 119590449) is N-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride is CC(C)c1c(C(=O)NC(CN)C2CCCCC2)cnn1-c1ccc(F)cc1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is SYDCKOZPSUWXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O.ClH/c1-14(2)20-18(13-24-26(20)17-10-8-16(22)9-11-17)21(27)25-19(12-23)15-6-4-3-5-7-15;/h8-11,13-15,19H,3-7,12,23H2,1-2H3,(H,25,27);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 408.95 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119590449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).