methyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate

C15H17N3O3 — CID 60934285

IUPACmethyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C15H17N3O3/c1-8-5-6-11(15(20)21-4)7-12(8)16-14(19)13-9(2)17-18-10(13)3/h5-7H,1-4H3,(H,16,19)(H,17,18)
InChIKeyBFIIDRTVUNPDTQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.37
Rot. Bonds3

About methyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate

methyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate (PubChem CID 60934285) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate
PubChem CID60934285
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C15H17N3O3/c1-8-5-6-11(15(20)21-4)7-12(8)16-14(19)13-9(2)17-18-10(13)3/h5-7H,1-4H3,(H,16,19)(H,17,18)
InChIKeyBFIIDRTVUNPDTQ-UHFFFAOYSA-N
XLogP2.37
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methylbenzoate
CID 61260356
methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate
CID 9439805
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265
N-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61274098
methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate
CID 63972775
methyl 3-(methoxycarbonylamino)-4-methylbenzoate
CID 17172948
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
methyl 4-methyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzoate
CID 4822407
methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate
CID 967197
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
methyl 4-methyl-3-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 32642709

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate (CID 60934285) is methyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)c2c(C)n[nH]c2C)c1.
What is the InChIKey of methyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate?
The InChIKey is BFIIDRTVUNPDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-8-5-6-11(15(20)21-4)7-12(8)16-14(19)13-9(2)17-18-10(13)3/h5-7H,1-4H3,(H,16,19)(H,17,18).
What are the key properties of methyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate?
methyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate has a molecular weight of 287.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate is sourced from PubChem (CID 60934285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).