cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid

C19H22ClN3O3 — CID 120676932

IUPACcis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)c1c(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O3/c1-11(2)17-16(10-21-23(17)15-5-3-4-13(20)9-15)18(24)22-14-7-6-12(8-14)19(25)26/h3-5,9-12,14H,6-8H2,1-2H3,(H,22,24)(H,25,26)/t12-,14+/m0/s1
InChIKeyKLJHHZCWXAFFBR-GXTWGEPZSA-N
MW375.86 g/mol
LogP3.63
Rot. Bonds5

About cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120676932) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120676932
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Namecis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(C)c1c(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C19H22ClN3O3/c1-11(2)17-16(10-21-23(17)15-5-3-4-13(20)9-15)18(24)22-14-7-6-12(8-14)19(25)26/h3-5,9-12,14H,6-8H2,1-2H3,(H,22,24)(H,25,26)/t12-,14+/m0/s1
InChIKeyKLJHHZCWXAFFBR-GXTWGEPZSA-N
XLogP3.63
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

cis-(1S,3R)-3-[[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676356
1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide
CID 30855703
4-[[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229971
cis-(1S,3R)-3-[[1-(3-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676889
1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 30838865
1-(3-chlorophenyl)-N-cyclopropyl-5-ethylpyrazole-4-carboxamide
CID 31900860
cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-ethyltriazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675762
2-[4-[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 30837385
1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119511365
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
1-(3-chlorophenyl)-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 120832789
methyl 2-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]acetate
CID 52570392

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120676932) is cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid is CC(C)c1c(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is KLJHHZCWXAFFBR-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-11(2)17-16(10-21-23(17)15-5-3-4-13(20)9-15)18(24)22-14-7-6-12(8-14)19(25)26/h3-5,9-12,14H,6-8H2,1-2H3,(H,22,24)(H,25,26)/t12-,14+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 375.86 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).