2-[3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pyrazol-1-yl]acetic acid

C20H21N5O3 — CID 119231065

IUPAC2-[3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCCc1ccc(-n2nc(C(=O)Nc3ccn(CC(=O)O)n3)c3c2CCC3)cc1
InChIInChI=1S/C20H21N5O3/c1-2-13-6-8-14(9-7-13)25-16-5-3-4-15(16)19(23-25)20(28)21-17-10-11-24(22-17)12-18(26)27/h6-11H,2-5,12H2,1H3,(H,26,27)(H,21,22,28)
InChIKeySAMARFLQJYZMQJ-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.46
Rot. Bonds6

About 2-[3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 119231065) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pyrazol-1-yl]acetic acid
PubChem CID119231065
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-[3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCCc1ccc(-n2nc(C(=O)Nc3ccn(CC(=O)O)n3)c3c2CCC3)cc1
InChIInChI=1S/C20H21N5O3/c1-2-13-6-8-14(9-7-13)25-16-5-3-4-15(16)19(23-25)20(28)21-17-10-11-24(22-17)12-18(26)27/h6-11H,2-5,12H2,1H3,(H,26,27)(H,21,22,28)
InChIKeySAMARFLQJYZMQJ-UHFFFAOYSA-N
XLogP2.46
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pyrazol-1-yl]acetic acid with MolForge

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Related Compounds

2-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid
CID 119171571
N-(2-aminoethyl)-1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119382313
N-(1-amino-2-methylpropan-2-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119521670
4-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230031
cis-(1S,3R)-3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676099
2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230901
3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207522
1-(4-ethylphenyl)-N-piperidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119424628
2-[(1-phenyl-4,5,6,7-tetrahydroindazole-3-carbonyl)amino]acetic acid
CID 175587571
[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560090
1-(4-ethylphenyl)-N-(3-methylpiperidin-4-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 120556314
3-[[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]propanoic acid
CID 119351217

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pyrazol-1-yl]acetic acid (CID 119231065) is 2-[3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pyrazol-1-yl]acetic acid is CCc1ccc(-n2nc(C(=O)Nc3ccn(CC(=O)O)n3)c3c2CCC3)cc1.
What is the InChIKey of 2-[3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is SAMARFLQJYZMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-2-13-6-8-14(9-7-13)25-16-5-3-4-15(16)19(23-25)20(28)21-17-10-11-24(22-17)12-18(26)27/h6-11H,2-5,12H2,1H3,(H,26,27)(H,21,22,28).
What are the key properties of 2-[3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 379.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119231065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).