cis-(1R,3S)-3-[(2,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C13H19N3O3 — CID 74241443

IUPACcis-(1R,3S)-3-[(2,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(CNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)n(C)n1
InChIInChI=1S/C13H19N3O3/c1-8-5-11(16(2)15-8)7-14-12(17)9-3-4-10(6-9)13(18)19/h5,9-10H,3-4,6-7H2,1-2H3,(H,14,17)(H,18,19)/t9-,10+/m0/s1
InChIKeyVKUJLYHLEPBNKX-VHSXEESVSA-N
MW265.31 g/mol
LogP0.85
Rot. Bonds4

About cis-(1R,3S)-3-[(2,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(2,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 74241443) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(2,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID74241443
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namecis-(1R,3S)-3-[(2,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(CNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)n(C)n1
InChIInChI=1S/C13H19N3O3/c1-8-5-11(16(2)15-8)7-14-12(17)9-3-4-10(6-9)13(18)19/h5,9-10H,3-4,6-7H2,1-2H3,(H,14,17)(H,18,19)/t9-,10+/m0/s1
InChIKeyVKUJLYHLEPBNKX-VHSXEESVSA-N
XLogP0.85
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]azepane-4-carboxamide
CID 97456255
N-[(2,5-dimethylpyrazol-3-yl)methyl]azepane-4-carboxamide;hydrochloride
CID 154900615
2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 19292791
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414
3-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]propanamide
CID 72903478
3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120549365
3-amino-N-[(2-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119727673
3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783675
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 19294306
3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550470
cis-(1S,3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092025
cis-(1S,3R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092556

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(2,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 74241443) is cis-(1R,3S)-3-[(2,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(2,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(2,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is Cc1cc(CNC(=O)[C@H]2CC[C@@H](C(=O)O)C2)n(C)n1.
What is the InChIKey of cis-(1R,3S)-3-[(2,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is VKUJLYHLEPBNKX-VHSXEESVSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-5-11(16(2)15-8)7-14-12(17)9-3-4-10(6-9)13(18)19/h5,9-10H,3-4,6-7H2,1-2H3,(H,14,17)(H,18,19)/t9-,10+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[(2,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(2,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.85, 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-[(2,5-dimethylpyrazol-3-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 74241443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).