methyl 4-[(5-cyclopropyl-1-methylpyrazol-3-yl)methylcarbamoyl]benzoate

C17H19N3O3 — CID 71808583

IUPACmethyl 4-[(5-cyclopropyl-1-methylpyrazol-3-yl)methylcarbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NCc2cc(C3CC3)n(C)n2)cc1
InChIInChI=1S/C17H19N3O3/c1-20-15(11-3-4-11)9-14(19-20)10-18-16(21)12-5-7-13(8-6-12)17(22)23-2/h5-9,11H,3-4,10H2,1-2H3,(H,18,21)
InChIKeyNEAHUVRWJFJBJU-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.01
Rot. Bonds5

About methyl 4-[(5-cyclopropyl-1-methylpyrazol-3-yl)methylcarbamoyl]benzoate

methyl 4-[(5-cyclopropyl-1-methylpyrazol-3-yl)methylcarbamoyl]benzoate (PubChem CID 71808583) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is methyl 4-[(5-cyclopropyl-1-methylpyrazol-3-yl)methylcarbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-cyclopropyl-1-methylpyrazol-3-yl)methylcarbamoyl]benzoate
PubChem CID71808583
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Namemethyl 4-[(5-cyclopropyl-1-methylpyrazol-3-yl)methylcarbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NCc2cc(C3CC3)n(C)n2)cc1
InChIInChI=1S/C17H19N3O3/c1-20-15(11-3-4-11)9-14(19-20)10-18-16(21)12-5-7-13(8-6-12)17(22)23-2/h5-9,11H,3-4,10H2,1-2H3,(H,18,21)
InChIKeyNEAHUVRWJFJBJU-UHFFFAOYSA-N
XLogP2.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(5-cyclopropyl-1-methylpyrazol-3-yl)methylcarbamoyl]benzoate with MolForge

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Related Compounds

4-((3,5-Dimethyl-1H-pyrazol-1-yl)methyl)benzoic acid
CID 615212
4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid
CID 138756829
Methyl 2-({[(1,3,5-trimethyl-1H-pyrazol-4-YL)methyl]carbamoyl}amino)benzoate
CID 16193478
2-[[[(1-Ethyl-3,5-dimethyl-4-pyrazolyl)methylamino]-oxomethyl]amino]benzoic acid methyl ester
CID 16193479
Methyl 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoate
CID 627975
methyl 4-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzenecarboxylate
CID 1485771
benzyl N-[(R)-[(1R,2S)-2-[(2R)-1-[(1,5-dimethylpyrazol-3-yl)methylamino]-1-oxopropan-2-yl]-1-methylcyclopropyl]-phenylmethyl]carbamate
CID 3247294
4-[1-[[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]amino]ethyl]Benzoic acid
CID 155538389
Methyl 4-(2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamido)benzoate
CID 856356
ethyl 4-[({[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]amino}carbonyl)amino]benzoate
CID 16193480
4-(5-Methyl-3-trifluoromethyl-pyrazol-1-ylmethyl)-benzoic acid methyl ester
CID 889232
US10793580, Example 18
CID 146217120

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-cyclopropyl-1-methylpyrazol-3-yl)methylcarbamoyl]benzoate?
The IUPAC name of methyl 4-[(5-cyclopropyl-1-methylpyrazol-3-yl)methylcarbamoyl]benzoate (CID 71808583) is methyl 4-[(5-cyclopropyl-1-methylpyrazol-3-yl)methylcarbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(5-cyclopropyl-1-methylpyrazol-3-yl)methylcarbamoyl]benzoate?
The canonical SMILES for methyl 4-[(5-cyclopropyl-1-methylpyrazol-3-yl)methylcarbamoyl]benzoate is COC(=O)c1ccc(C(=O)NCc2cc(C3CC3)n(C)n2)cc1.
What is the InChIKey of methyl 4-[(5-cyclopropyl-1-methylpyrazol-3-yl)methylcarbamoyl]benzoate?
The InChIKey is NEAHUVRWJFJBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-20-15(11-3-4-11)9-14(19-20)10-18-16(21)12-5-7-13(8-6-12)17(22)23-2/h5-9,11H,3-4,10H2,1-2H3,(H,18,21).
What are the key properties of methyl 4-[(5-cyclopropyl-1-methylpyrazol-3-yl)methylcarbamoyl]benzoate?
methyl 4-[(5-cyclopropyl-1-methylpyrazol-3-yl)methylcarbamoyl]benzoate has a molecular weight of 313.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-cyclopropyl-1-methylpyrazol-3-yl)methylcarbamoyl]benzoate is sourced from PubChem (CID 71808583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).