1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate

C16H19N3O2 — CID 71906087

IUPAC1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate
SMILESCC(OC(=O)c1cccc(Nc2cnn(C)c2)c1)C1CC1
InChIInChI=1S/C16H19N3O2/c1-11(12-6-7-12)21-16(20)13-4-3-5-14(8-13)18-15-9-17-19(2)10-15/h3-5,8-12,18H,6-7H2,1-2H3
InChIKeyDZUIKJQBSPYIEX-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.12
Rot. Bonds5

About 1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate

1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate (PubChem CID 71906087) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate.

Molecular Properties

Compound Name1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate
PubChem CID71906087
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate
SMILESCC(OC(=O)c1cccc(Nc2cnn(C)c2)c1)C1CC1
InChIInChI=1S/C16H19N3O2/c1-11(12-6-7-12)21-16(20)13-4-3-5-14(8-13)18-15-9-17-19(2)10-15/h3-5,8-12,18H,6-7H2,1-2H3
InChIKeyDZUIKJQBSPYIEX-UHFFFAOYSA-N
XLogP3.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone
CID 82536724
benzyl 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 71846936
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 71914786
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 97065428
[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone
CID 97235719
3-[(1-methylpyrazol-4-yl)amino]-N-(2-phenoxypropyl)benzamide
CID 71914773
N-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide
CID 75387829
2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide
CID 120793438
N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopent-3-ene-1-carboxamide
CID 71979985
N-ethyl-N-(furan-3-ylmethyl)-3-[(1-methylpyrazol-4-yl)amino]benzamide
CID 71914810
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 159276710
methyl 3-(2-cyclopropylpropanoylamino)benzoate
CID 79506267

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate?
The IUPAC name of 1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate (CID 71906087) is 1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate.
What is the SMILES notation for 1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate?
The canonical SMILES for 1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate is CC(OC(=O)c1cccc(Nc2cnn(C)c2)c1)C1CC1.
What is the InChIKey of 1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate?
The InChIKey is DZUIKJQBSPYIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(12-6-7-12)21-16(20)13-4-3-5-14(8-13)18-15-9-17-19(2)10-15/h3-5,8-12,18H,6-7H2,1-2H3.
What are the key properties of 1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate?
1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate has a molecular weight of 285.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate is sourced from PubChem (CID 71906087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).