N-(2-amino-1-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide

C17H21FN4O — CID 119614350

IUPACN-(2-amino-1-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(CN)C2CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H21FN4O/c1-2-16-14(17(23)21-15(9-19)11-3-4-11)10-20-22(16)13-7-5-12(18)6-8-13/h5-8,10-11,15H,2-4,9,19H2,1H3,(H,21,23)
InChIKeyABHNNMYMTAUJMN-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.04
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide

N-(2-amino-1-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 119614350) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
PubChem CID119614350
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC NameN-(2-amino-1-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(CN)C2CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H21FN4O/c1-2-16-14(17(23)21-15(9-19)11-3-4-11)10-20-22(16)13-7-5-12(18)6-8-13/h5-8,10-11,15H,2-4,9,19H2,1H3,(H,21,23)
InChIKeyABHNNMYMTAUJMN-UHFFFAOYSA-N
XLogP2.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 120506558
N-(2-amino-1-cyclohexylethyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119590449
methyl (2S)-2-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoate
CID 87040238
N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119612978
N-(2-amino-1-cyclopropylethyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 119614921
N-(2-amino-1-cyclohexylethyl)-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 119590475
N-(3-aminopropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119406144
N-(2-amino-1-cyclopropylethyl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119613631
5-ethyl-1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119511358
1-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylurea
CID 86835872
5-ethyl-1-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
CID 120947390
5-ethyl-1-(4-fluorophenyl)-N-(6-oxopiperidin-3-yl)pyrazole-4-carboxamide
CID 60615723

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide (CID 119614350) is N-(2-amino-1-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide is CCc1c(C(=O)NC(CN)C2CC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is ABHNNMYMTAUJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-2-16-14(17(23)21-15(9-19)11-3-4-11)10-20-22(16)13-7-5-12(18)6-8-13/h5-8,10-11,15H,2-4,9,19H2,1H3,(H,21,23).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
N-(2-amino-1-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.04, 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-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119614350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).