2-[3-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]pyrazol-1-yl]acetic acid

C24H23N5O3 — CID 166224821

IUPAC2-[3-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)Nc2ccn(CC(=O)O)n2)cc1
InChIInChI=1S/C24H23N5O3/c1-3-17-8-10-18(11-9-17)23-19(14-29(27-23)20-7-5-4-6-16(20)2)24(32)25-21-12-13-28(26-21)15-22(30)31/h4-14H,3,15H2,1-2H3,(H,30,31)(H,25,26,32)
InChIKeyDEHYEPSAWQHWSY-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.94
Rot. Bonds7

About 2-[3-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 166224821) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-[3-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]pyrazol-1-yl]acetic acid
PubChem CID166224821
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name2-[3-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)Nc2ccn(CC(=O)O)n2)cc1
InChIInChI=1S/C24H23N5O3/c1-3-17-8-10-18(11-9-17)23-19(14-29(27-23)20-7-5-4-6-16(20)2)24(32)25-21-12-13-28(26-21)15-22(30)31/h4-14H,3,15H2,1-2H3,(H,30,31)(H,25,26,32)
InChIKeyDEHYEPSAWQHWSY-UHFFFAOYSA-N
XLogP3.94
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate
CID 9277921
1-[4-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 29202211
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 56558529
3-(4-ethylphenyl)-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 56576170
2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230901
3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55548850
2-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500485
9-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 139008258
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210094
2-[3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 119231065
2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230672

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]pyrazol-1-yl]acetic acid (CID 166224821) is 2-[3-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]pyrazol-1-yl]acetic acid is CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)Nc2ccn(CC(=O)O)n2)cc1.
What is the InChIKey of 2-[3-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is DEHYEPSAWQHWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-3-17-8-10-18(11-9-17)23-19(14-29(27-23)20-7-5-4-6-16(20)2)24(32)25-21-12-13-28(26-21)15-22(30)31/h4-14H,3,15H2,1-2H3,(H,30,31)(H,25,26,32).
What are the key properties of 2-[3-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 429.48 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 166224821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).