trans-(1R,2R)-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

C15H15N3O3 — CID 146141589

IUPACtrans-(1R,2R)-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ccnn1-c1ccccc1NC(=O)[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C15H15N3O3/c1-9-6-7-16-18(9)13-5-3-2-4-12(13)17-14(19)10-8-11(10)15(20)21/h2-7,10-11H,8H2,1H3,(H,17,19)(H,20,21)/t10-,11-/m1/s1
InChIKeyURFWAJRWZWZHDT-GHMZBOCLSA-N
MW285.30 g/mol
LogP1.84
Rot. Bonds4

About trans-(1R,2R)-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 146141589) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID146141589
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Nametrans-(1R,2R)-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1ccnn1-c1ccccc1NC(=O)[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C15H15N3O3/c1-9-6-7-16-18(9)13-5-3-2-4-12(13)17-14(19)10-8-11(10)15(20)21/h2-7,10-11H,8H2,1H3,(H,17,19)(H,20,21)/t10-,11-/m1/s1
InChIKeyURFWAJRWZWZHDT-GHMZBOCLSA-N
XLogP1.84
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941818
2-[(3-bromo-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 103925937
2-[(2-pyrrolidin-1-ylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974434
2-(4-methylpiperazin-1-yl)-N-[2-(5-methylpyrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 126780133
trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 51931889
1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141794
cis-(1S,2R)-2-[(2,4-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344028
N-(2-methylphenyl)-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109139236
(1S,6S)-3,4-dimethyl-6-[(2-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 842157
2-[[2-(dimethylamino)-3-pyridinyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390595
2-[[3-chloro-2-(dimethylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868200
cis-(1R,2S)-2-(pyridin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 93346846

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 146141589) is trans-(1R,2R)-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is Cc1ccnn1-c1ccccc1NC(=O)[C@@H]1C[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is URFWAJRWZWZHDT-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-6-7-16-18(9)13-5-3-2-4-12(13)17-14(19)10-8-11(10)15(20)21/h2-7,10-11H,8H2,1H3,(H,17,19)(H,20,21)/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[2-(5-methylpyrazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 146141589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).