methyl 4-[[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-methylamino]methyl]benzoate

C23H23N3O3 — CID 37416253

IUPACmethyl 4-[[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-methylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H23N3O3/c1-25(15-16-8-10-18(11-9-16)23(28)29-2)22(27)21-14-20(17-12-13-17)24-26(21)19-6-4-3-5-7-19/h3-11,14,17H,12-13,15H2,1-2H3
InChIKeyXHONLZCDTMNVOV-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.81
Rot. Bonds6

About methyl 4-[[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-methylamino]methyl]benzoate

methyl 4-[[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-methylamino]methyl]benzoate (PubChem CID 37416253) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is methyl 4-[[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-methylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-methylamino]methyl]benzoate
PubChem CID37416253
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Namemethyl 4-[[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-methylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H23N3O3/c1-25(15-16-8-10-18(11-9-16)23(28)29-2)22(27)21-14-20(17-12-13-17)24-26(21)19-6-4-3-5-7-19/h3-11,14,17H,12-13,15H2,1-2H3
InChIKeyXHONLZCDTMNVOV-UHFFFAOYSA-N
XLogP3.81
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-methylamino]methyl]benzoate with MolForge

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Related Compounds

3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 9205889
dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 26737011
3-cyclopropyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 9452252
[(2S)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 8998852
3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9292766
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018
3-cyclopropyl-N-[(4-fluorophenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404997
3-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9404708
3-cyclopropyl-N-[2-(diethylamino)-2-phenylethyl]-1-phenylpyrazole-5-carboxamide
CID 18207609
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-cyclopropyl-1-phenylpyrazole-5-carboxylate
CID 8998870
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
3-cyclopropyl-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-5-carboxamide
CID 18161045

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-methylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-methylamino]methyl]benzoate (CID 37416253) is methyl 4-[[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-methylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-methylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-methylamino]methyl]benzoate is COC(=O)c1ccc(CN(C)C(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1.
What is the InChIKey of methyl 4-[[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-methylamino]methyl]benzoate?
The InChIKey is XHONLZCDTMNVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-25(15-16-8-10-18(11-9-16)23(28)29-2)22(27)21-14-20(17-12-13-17)24-26(21)19-6-4-3-5-7-19/h3-11,14,17H,12-13,15H2,1-2H3.
What are the key properties of methyl 4-[[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-methylamino]methyl]benzoate?
methyl 4-[[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-methylamino]methyl]benzoate has a molecular weight of 389.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)-methylamino]methyl]benzoate is sourced from PubChem (CID 37416253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).