cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid

C16H25N3O3 — CID 120675965

IUPACcis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCCc1c(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cnn1CC(C)C
InChIInChI=1S/C16H25N3O3/c1-4-14-13(8-17-19(14)9-10(2)3)15(20)18-12-6-5-11(7-12)16(21)22/h8,10-12H,4-7,9H2,1-3H3,(H,18,20)(H,21,22)/t11-,12+/m0/s1
InChIKeyBFUFKDCNUPRGSO-NWDGAFQWSA-N
MW307.39 g/mol
LogP2.08
Rot. Bonds6

About cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120675965) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120675965
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Namecis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCCc1c(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cnn1CC(C)C
InChIInChI=1S/C16H25N3O3/c1-4-14-13(8-17-19(14)9-10(2)3)15(20)18-12-6-5-11(7-12)16(21)22/h8,10-12H,4-7,9H2,1-3H3,(H,18,20)(H,21,22)/t11-,12+/m0/s1
InChIKeyBFUFKDCNUPRGSO-NWDGAFQWSA-N
XLogP2.08
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

1-[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117087
N-[(4S)-8-chloro-3,4-dihydro-2H-chromen-4-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124614344
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 119042913
4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524544
cis-(1S,3R)-3-[[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676356
1-benzyl-5-ethyl-N-(2-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120601726
N-[(3S)-7-chloro-2,3-dihydro-1-benzofuran-3-yl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124736406
3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 102554735
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]amino]cyclohexane-1-carboxylic acid
CID 122032573
cis-(1R,3S)-3-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320903
5-ethyl-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109478202

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120675965) is cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid is CCc1c(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cnn1CC(C)C.
What is the InChIKey of cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is BFUFKDCNUPRGSO-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-14-13(8-17-19(14)9-10(2)3)15(20)18-12-6-5-11(7-12)16(21)22/h8,10-12H,4-7,9H2,1-3H3,(H,18,20)(H,21,22)/t11-,12+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 307.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).