5-ethyl-1-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide

C22H20FN5O2 — CID 56552513

IUPAC5-ethyl-1-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cc(-c3ccccc3OC)[nH]n2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C22H20FN5O2/c1-3-19-17(13-24-28(19)15-10-8-14(23)9-11-15)22(29)25-21-12-18(26-27-21)16-6-4-5-7-20(16)30-2/h4-13H,3H2,1-2H3,(H2,25,26,27,29)
InChIKeyLBQLNRZZHCLQJE-UHFFFAOYSA-N
MW405.43 g/mol
LogP4.22
Rot. Bonds6

About 5-ethyl-1-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide

5-ethyl-1-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide (PubChem CID 56552513) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 5-ethyl-1-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
PubChem CID56552513
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name5-ethyl-1-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cc(-c3ccccc3OC)[nH]n2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C22H20FN5O2/c1-3-19-17(13-24-28(19)15-10-8-14(23)9-11-15)22(29)25-21-12-18(26-27-21)16-6-4-5-7-20(16)30-2/h4-13H,3H2,1-2H3,(H2,25,26,27,29)
InChIKeyLBQLNRZZHCLQJE-UHFFFAOYSA-N
XLogP4.22
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31900906
4-fluoro-2-iodo-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
CID 56552510
5-ethyl-N-(3-ethylphenyl)-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 31887301
methyl (2S)-2-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoate
CID 87040238
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
2-bromo-5-methoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]benzamide
CID 56552729
5-ethyl-1-(4-fluorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 55951612
5-ethyl-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 112821652
N-[[2-(ethoxymethyl)phenyl]methyl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 37397456
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 55799776
1-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylurea
CID 86835872

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide (CID 56552513) is 5-ethyl-1-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide is CCc1c(C(=O)Nc2cc(-c3ccccc3OC)[nH]n2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-1-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
The InChIKey is LBQLNRZZHCLQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-3-19-17(13-24-28(19)15-10-8-14(23)9-11-15)22(29)25-21-12-18(26-27-21)16-6-4-5-7-20(16)30-2/h4-13H,3H2,1-2H3,(H2,25,26,27,29).
What are the key properties of 5-ethyl-1-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide?
5-ethyl-1-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide has a molecular weight of 405.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 56552513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).