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

C15H17N3O3 — CID 61260356

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

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

methyl 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methylbenzoate (PubChem CID 61260356) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methylbenzoate
PubChem CID61260356
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2c(C)n[nH]c2C)c(C)c1
InChIInChI=1S/C15H17N3O3/c1-8-7-11(15(20)21-4)5-6-12(8)16-14(19)13-9(2)17-18-10(13)3/h5-7H,1-4H3,(H,16,19)(H,17,18)
InChIKeyDSHZTBBNRAYLOC-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 3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-methylbenzoate
CID 60934285
methyl 3-methyl-4-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
CID 63997003
N-(4-acetamido-3-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61274560
methyl 3,5-dimethyl-1H-pyrazole-4-carboxylate
CID 2753080
methyl 4-[(3,5-dichlorobenzoyl)amino]-3-methylbenzoate
CID 35248663
N-(5-carbamoyl-2-chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61274098
methyl 4-[(5-hydroxypyridine-3-carbonyl)amino]-3-methylbenzoate
CID 63859252
methyl 3-methyl-4-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 36930577
methyl 4-[(5-bromopyridine-2-carbonyl)amino]-3-methylbenzoate
CID 62954229
N-(5-chloro-2,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582490
N-(3,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582482
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582479

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methylbenzoate?
The IUPAC name of methyl 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methylbenzoate (CID 61260356) is methyl 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methylbenzoate?
The canonical SMILES for methyl 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methylbenzoate is COC(=O)c1ccc(NC(=O)c2c(C)n[nH]c2C)c(C)c1.
What is the InChIKey of methyl 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methylbenzoate?
The InChIKey is DSHZTBBNRAYLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-8-7-11(15(20)21-4)5-6-12(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 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methylbenzoate?
methyl 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-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 4-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-3-methylbenzoate is sourced from PubChem (CID 61260356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).