[4-[(4-methylbenzoyl)amino]-1H-pyrazol-5-yl]methyl formate

C13H13N3O3 — CID 174510787

IUPAC[4-[(4-methylbenzoyl)amino]-1H-pyrazol-5-yl]methyl formate
SMILESCc1ccc(C(=O)Nc2cn[nH]c2COC=O)cc1
InChIInChI=1S/C13H13N3O3/c1-9-2-4-10(5-3-9)13(18)15-11-6-14-16-12(11)7-19-8-17/h2-6,8H,7H2,1H3,(H,14,16)(H,15,18)
InChIKeyKDIHPEUBUISTAI-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.64
Rot. Bonds5

About [4-[(4-methylbenzoyl)amino]-1H-pyrazol-5-yl]methyl formate

[4-[(4-methylbenzoyl)amino]-1H-pyrazol-5-yl]methyl formate (PubChem CID 174510787) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is [4-[(4-methylbenzoyl)amino]-1H-pyrazol-5-yl]methyl formate.

Molecular Properties

Compound Name[4-[(4-methylbenzoyl)amino]-1H-pyrazol-5-yl]methyl formate
PubChem CID174510787
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name[4-[(4-methylbenzoyl)amino]-1H-pyrazol-5-yl]methyl formate
SMILESCc1ccc(C(=O)Nc2cn[nH]c2COC=O)cc1
InChIInChI=1S/C13H13N3O3/c1-9-2-4-10(5-3-9)13(18)15-11-6-14-16-12(11)7-19-8-17/h2-6,8H,7H2,1H3,(H,14,16)(H,15,18)
InChIKeyKDIHPEUBUISTAI-UHFFFAOYSA-N
XLogP1.64
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 68991326
N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-4-methylbenzamide
CID 135804549
N-(2-ethyl-5-methylphenyl)-4-methylbenzamide
CID 130461035
N-[2-(3-aminopropanoylamino)phenyl]-4-methylbenzamide
CID 82034348
N-[2-(4-aminobutanoylamino)phenyl]-4-methylbenzamide
CID 39192976
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide
CID 142065920
3,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 1296278
N-(4-methylphenyl)-4-(1H-pyrazol-4-yl)benzamide
CID 110464321
N-[2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]ethyl]-4-methylbenzamide
CID 114385948
N-(2-chloro-4-methylphenyl)-1H-indazole-6-carboxamide
CID 60715106
N-(2,4-dimethylphenyl)-4-methylbenzamide
CID 774370

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methylbenzoyl)amino]-1H-pyrazol-5-yl]methyl formate?
The IUPAC name of [4-[(4-methylbenzoyl)amino]-1H-pyrazol-5-yl]methyl formate (CID 174510787) is [4-[(4-methylbenzoyl)amino]-1H-pyrazol-5-yl]methyl formate.
What is the SMILES notation for [4-[(4-methylbenzoyl)amino]-1H-pyrazol-5-yl]methyl formate?
The canonical SMILES for [4-[(4-methylbenzoyl)amino]-1H-pyrazol-5-yl]methyl formate is Cc1ccc(C(=O)Nc2cn[nH]c2COC=O)cc1.
What is the InChIKey of [4-[(4-methylbenzoyl)amino]-1H-pyrazol-5-yl]methyl formate?
The InChIKey is KDIHPEUBUISTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-9-2-4-10(5-3-9)13(18)15-11-6-14-16-12(11)7-19-8-17/h2-6,8H,7H2,1H3,(H,14,16)(H,15,18).
What are the key properties of [4-[(4-methylbenzoyl)amino]-1H-pyrazol-5-yl]methyl formate?
[4-[(4-methylbenzoyl)amino]-1H-pyrazol-5-yl]methyl formate has a molecular weight of 259.26 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methylbenzoyl)amino]-1H-pyrazol-5-yl]methyl formate is sourced from PubChem (CID 174510787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).