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

C17H18ClN3O3 — CID 120678931

IUPACcis-(1R,3S)-3-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)nn1-c1ccccc1Cl
InChIInChI=1S/C17H18ClN3O3/c1-10-8-14(20-21(10)15-5-3-2-4-13(15)18)16(22)19-12-7-6-11(9-12)17(23)24/h2-5,8,11-12H,6-7,9H2,1H3,(H,19,22)(H,23,24)/t11-,12+/m1/s1
InChIKeyOMRGMCNTLIRZFN-NEPJUHHUSA-N
MW347.80 g/mol
LogP2.82
Rot. Bonds4

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

cis-(1R,3S)-3-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120678931) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120678931
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Namecis-(1R,3S)-3-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)nn1-c1ccccc1Cl
InChIInChI=1S/C17H18ClN3O3/c1-10-8-14(20-21(10)15-5-3-2-4-13(15)18)16(22)19-12-7-6-11(9-12)17(23)24/h2-5,8,11-12H,6-7,9H2,1H3,(H,19,22)(H,23,24)/t11-,12+/m1/s1
InChIKeyOMRGMCNTLIRZFN-NEPJUHHUSA-N
XLogP2.82
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[[1-(2,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678700
1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-2-carboxylic acid
CID 120514979
1-(2-chlorophenyl)-N-cycloheptyl-6-methyl-4-oxopyridazine-3-carboxamide
CID 9082115
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 97318284
7-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]heptanoic acid
CID 120524080
cis-(1R,3S)-3-[[2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678201
1-[[1-(2-chlorophenyl)-5-methylpyrazol-3-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122089042
cis-(1S,3R)-3-[(2-phenyltriazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120674958
4-[[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542922
1-[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 120528269
cis-(1S,3R)-3-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676410
cis-(1R,3S)-3-[(5-fluoropyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320712

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120678931) is cis-(1R,3S)-3-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid is Cc1cc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)nn1-c1ccccc1Cl.
What is the InChIKey of cis-(1R,3S)-3-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is OMRGMCNTLIRZFN-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-10-8-14(20-21(10)15-5-3-2-4-13(15)18)16(22)19-12-7-6-11(9-12)17(23)24/h2-5,8,11-12H,6-7,9H2,1H3,(H,19,22)(H,23,24)/t11-,12+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 347.80 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[1-(2-chlorophenyl)-5-methylpyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).