2-[1-[[[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]acetic acid

C22H29N3O4 — CID 110204881

IUPAC2-[1-[[[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]acetic acid
SMILESCOc1ccc(-c2n[nH]c(C)c2CC(=O)NCC2(CC(=O)O)CCCCC2)cc1
InChIInChI=1S/C22H29N3O4/c1-15-18(21(25-24-15)16-6-8-17(29-2)9-7-16)12-19(26)23-14-22(13-20(27)28)10-4-3-5-11-22/h6-9H,3-5,10-14H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeyWWJGEMJYBNYHBT-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.48
Rot. Bonds8

About 2-[1-[[[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]acetic acid

2-[1-[[[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]acetic acid (PubChem CID 110204881) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[1-[[[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]acetic acid
PubChem CID110204881
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name2-[1-[[[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]acetic acid
SMILESCOc1ccc(-c2n[nH]c(C)c2CC(=O)NCC2(CC(=O)O)CCCCC2)cc1
InChIInChI=1S/C22H29N3O4/c1-15-18(21(25-24-15)16-6-8-17(29-2)9-7-16)12-19(26)23-14-22(13-20(27)28)10-4-3-5-11-22/h6-9H,3-5,10-14H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeyWWJGEMJYBNYHBT-UHFFFAOYSA-N
XLogP3.48
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 51048605
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 71701198
2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 75489297
N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 124855122
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362374
[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54851145
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 110204827
2-[1-[[[2-[4-(2-methyltetrazol-5-yl)phenoxy]acetyl]amino]methyl]cyclohexyl]acetic acid
CID 86207484
2-[1-[[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81163599
2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 42687579
2-[1-[2-[(3-methoxy-1H-1,2,4-triazol-5-yl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 83094666
2-[1-[[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81165071

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]acetic acid (CID 110204881) is 2-[1-[[[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]acetic acid is COc1ccc(-c2n[nH]c(C)c2CC(=O)NCC2(CC(=O)O)CCCCC2)cc1.
What is the InChIKey of 2-[1-[[[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]acetic acid?
The InChIKey is WWJGEMJYBNYHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-15-18(21(25-24-15)16-6-8-17(29-2)9-7-16)12-19(26)23-14-22(13-20(27)28)10-4-3-5-11-22/h6-9H,3-5,10-14H2,1-2H3,(H,23,26)(H,24,25)(H,27,28).
What are the key properties of 2-[1-[[[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]acetic acid?
2-[1-[[[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]acetic acid has a molecular weight of 399.49 g/mol, XLogP of 3.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[[2-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetyl]amino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 110204881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).