cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid

C8H9N3O3 — CID 93311811

IUPACcis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C8H9N3O3/c12-7(5-1-6(5)8(13)14)11-4-2-9-10-3-4/h2-3,5-6H,1H2,(H,9,10)(H,11,12)(H,13,14)/t5-,6+/m1/s1
InChIKeyICGDEIUHJSRZPM-RITPCOANSA-N
MW195.18 g/mol
LogP0.07
Rot. Bonds3

About cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 93311811) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID93311811
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Namecis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C8H9N3O3/c12-7(5-1-6(5)8(13)14)11-4-2-9-10-3-4/h2-3,5-6H,1H2,(H,9,10)(H,11,12)(H,13,14)/t5-,6+/m1/s1
InChIKeyICGDEIUHJSRZPM-RITPCOANSA-N
XLogP0.07
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 95760685
3-(methylamino)-N-(1H-pyrazol-4-yl)cyclobutane-1-carboxamide
CID 164651415
1H-pyrazol-4-ylcarbamic acid
CID 66846919
(1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 175979811
cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93346846
(1S,3S,5S)-N-(1H-pyrazol-4-yl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;hydrochloride
CID 131089748
cis-(1S,2R)-2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 7100099
trans-(1S,2S)-2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 7100101
2-[[4-(carbamoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868238
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
2-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270376
2-methyl-3-(1H-pyrazol-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63781609

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid (CID 93311811) is cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@H]1C(=O)Nc1cn[nH]c1.
What is the InChIKey of cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is ICGDEIUHJSRZPM-RITPCOANSA-N. The full InChI is InChI=1S/C8H9N3O3/c12-7(5-1-6(5)8(13)14)11-4-2-9-10-3-4/h2-3,5-6H,1H2,(H,9,10)(H,11,12)(H,13,14)/t5-,6+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 195.18 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(1H-pyrazol-4-ylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93311811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).