methyl 5-cyclopropyl-2-(1H-pyrazol-4-ylamino)benzoate

C14H15N3O2 — CID 143761347

IUPACmethyl 5-cyclopropyl-2-(1H-pyrazol-4-ylamino)benzoate
SMILESCOC(=O)c1cc(C2CC2)ccc1Nc1cn[nH]c1
InChIInChI=1S/C14H15N3O2/c1-19-14(18)12-6-10(9-2-3-9)4-5-13(12)17-11-7-15-16-8-11/h4-9,17H,2-3H2,1H3,(H,15,16)
InChIKeyAAIGIBBATQLANH-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.82
Rot. Bonds4

About methyl 5-cyclopropyl-2-(1H-pyrazol-4-ylamino)benzoate

methyl 5-cyclopropyl-2-(1H-pyrazol-4-ylamino)benzoate (PubChem CID 143761347) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 5-cyclopropyl-2-(1H-pyrazol-4-ylamino)benzoate.

Molecular Properties

Compound Namemethyl 5-cyclopropyl-2-(1H-pyrazol-4-ylamino)benzoate
PubChem CID143761347
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Namemethyl 5-cyclopropyl-2-(1H-pyrazol-4-ylamino)benzoate
SMILESCOC(=O)c1cc(C2CC2)ccc1Nc1cn[nH]c1
InChIInChI=1S/C14H15N3O2/c1-19-14(18)12-6-10(9-2-3-9)4-5-13(12)17-11-7-15-16-8-11/h4-9,17H,2-3H2,1H3,(H,15,16)
InChIKeyAAIGIBBATQLANH-UHFFFAOYSA-N
XLogP2.82
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-cyclopropyl-2-[[2-(2,3-difluorophenyl)pyrimidin-5-yl]amino]benzoate
CID 56967049
methyl 5-cyclopropyl-2-[[2-(2-cyclopropyloxyphenyl)pyrimidin-5-yl]amino]benzoate
CID 56967047
methyl 5-cyclopropyl-2-[(6-pyridin-3-yl-3-pyridinyl)amino]benzoate
CID 67395037
methyl 2-(4-anilino-3-nitroanilino)-5-cyclopropylbenzoate
CID 90152583
2-[[2-(2-chlorophenyl)pyrimidin-5-yl]amino]-5-methylbenzoic acid;methyl 2-[[2-(2-chlorophenyl)pyrimidin-5-yl]amino]-5-cyclopropylbenzoate
CID 158373022
methyl 5-cyclopropyl-2-fluorobenzoate
CID 126696591
methyl 5-cyclopropyl-2-[[1-(4-hydroxyphenyl)indol-5-yl]amino]benzoate
CID 144619139
methyl 5-cyclopropyl-2-[(3-methyl-2-oxo-1-phenylbenzimidazol-5-yl)amino]benzoate
CID 90152586
methyl 4-cyclopropyl-2-propan-2-yloxybenzoate
CID 90423653
2-[(6-bromo-3-pyridinyl)amino]-5-cyclopropylbenzoic acid
CID 87383887
methyl 2-amino-5-cyclobutylbenzoate
CID 107367727
methyl 2-[4-[4-(4,4-difluorocyclohexyl)-N-methylanilino]anilino]-5-methoxybenzoate
CID 155134605

Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopropyl-2-(1H-pyrazol-4-ylamino)benzoate?
The IUPAC name of methyl 5-cyclopropyl-2-(1H-pyrazol-4-ylamino)benzoate (CID 143761347) is methyl 5-cyclopropyl-2-(1H-pyrazol-4-ylamino)benzoate.
What is the SMILES notation for methyl 5-cyclopropyl-2-(1H-pyrazol-4-ylamino)benzoate?
The canonical SMILES for methyl 5-cyclopropyl-2-(1H-pyrazol-4-ylamino)benzoate is COC(=O)c1cc(C2CC2)ccc1Nc1cn[nH]c1.
What is the InChIKey of methyl 5-cyclopropyl-2-(1H-pyrazol-4-ylamino)benzoate?
The InChIKey is AAIGIBBATQLANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-14(18)12-6-10(9-2-3-9)4-5-13(12)17-11-7-15-16-8-11/h4-9,17H,2-3H2,1H3,(H,15,16).
What are the key properties of methyl 5-cyclopropyl-2-(1H-pyrazol-4-ylamino)benzoate?
methyl 5-cyclopropyl-2-(1H-pyrazol-4-ylamino)benzoate has a molecular weight of 257.29 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 methyl 5-cyclopropyl-2-(1H-pyrazol-4-ylamino)benzoate is sourced from PubChem (CID 143761347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).