N-[(3-carbamoylphenyl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide

C20H19FN4O2 — CID 32637853

IUPACN-[(3-carbamoylphenyl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2cccc(C(N)=O)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN4O2/c1-2-18-17(12-24-25(18)16-8-6-15(21)7-9-16)20(27)23-11-13-4-3-5-14(10-13)19(22)26/h3-10,12H,2,11H2,1H3,(H2,22,26)(H,23,27)
InChIKeyXEJXPLZERNRBMK-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.60
Rot. Bonds6

About N-[(3-carbamoylphenyl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide

N-[(3-carbamoylphenyl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 32637853) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
PubChem CID32637853
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[(3-carbamoylphenyl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2cccc(C(N)=O)c2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H19FN4O2/c1-2-18-17(12-24-25(18)16-8-6-15(21)7-9-16)20(27)23-11-13-4-3-5-14(10-13)19(22)26/h3-10,12H,2,11H2,1H3,(H2,22,26)(H,23,27)
InChIKeyXEJXPLZERNRBMK-UHFFFAOYSA-N
XLogP2.60
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32637806
5-ethyl-N-(3-ethylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31887301
N-[(4-carbamoylphenyl)methyl]-1-(3-chlorophenyl)-5-ethylpyrazole-4-carboxamide
CID 46589750
5-ethyl-1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55847605
N-(3-aminopropyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119406144
3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119176883
N-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 37397456
5-ethyl-1-(4-fluorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 46589066
methyl (2S)-2-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoate
CID 87040238
5-ethyl-N-[2-(3-ethynylanilino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 55835373
5-ethyl-N'-(2-fluorobenzoyl)-1-(4-fluorophenyl)pyrazole-4-carbohydrazide
CID 31891063
5-ethyl-1-(4-fluorophenyl)-N'-(2-hydroxybenzoyl)pyrazole-4-carbohydrazide
CID 31978367

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide (CID 32637853) is N-[(3-carbamoylphenyl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide is CCc1c(C(=O)NCc2cccc(C(N)=O)c2)cnn1-c1ccc(F)cc1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is XEJXPLZERNRBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-2-18-17(12-24-25(18)16-8-6-15(21)7-9-16)20(27)23-11-13-4-3-5-14(10-13)19(22)26/h3-10,12H,2,11H2,1H3,(H2,22,26)(H,23,27).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide?
N-[(3-carbamoylphenyl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 32637853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).