prop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate

C14H13N3O2 — CID 2726214

IUPACprop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate
SMILESC#CCOC(=O)Nc1cc(C)n(-c2ccccc2)n1
InChIInChI=1S/C14H13N3O2/c1-3-9-19-14(18)15-13-10-11(2)17(16-13)12-7-5-4-6-8-12/h1,4-8,10H,9H2,2H3,(H,15,16,18)
InChIKeyNATYCXRQJWOERU-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.36
Rot. Bonds3

About prop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate

prop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate (PubChem CID 2726214) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is prop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Nameprop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate
PubChem CID2726214
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Nameprop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate
SMILESC#CCOC(=O)Nc1cc(C)n(-c2ccccc2)n1
InChIInChI=1S/C14H13N3O2/c1-3-9-19-14(18)15-13-10-11(2)17(16-13)12-7-5-4-6-8-12/h1,4-8,10H,9H2,2H3,(H,15,16,18)
InChIKeyNATYCXRQJWOERU-UHFFFAOYSA-N
XLogP2.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-(5-methyl-1-phenylpyrazol-3-yl)-3-phenylbutanamide
CID 110026421
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CID 46107065
1-(5-methyl-1-phenylpyrazol-3-yl)-3-(2-propan-2-yloxyphenyl)urea
CID 154794214
ethyl 5-methyl-1-phenylpyrazole-3-carboxylate
CID 10900438
N-(1-amino-1-oxopent-4-yn-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 71908786
N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 57278504
1-[3-(difluoromethoxy)phenyl]-3-(5-methyl-1-phenylpyrazol-3-yl)urea
CID 167897122
1-(4-methyloxan-4-yl)-3-(5-methyl-1-phenylpyrazol-3-yl)urea
CID 154737436
1-acetamido-N-(5-methyl-1-phenylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 138998233
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-methyl-1-phenylpyrazol-3-yl)pentanamide
CID 10251870
prop-2-ynyl N-(5-tert-butyl-3-chloro-1-pyridin-3-ylpyrazol-4-yl)carbamate
CID 142769608

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate?
The IUPAC name of prop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate (CID 2726214) is prop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate.
What is the SMILES notation for prop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate?
The canonical SMILES for prop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate is C#CCOC(=O)Nc1cc(C)n(-c2ccccc2)n1.
What is the InChIKey of prop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate?
The InChIKey is NATYCXRQJWOERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-3-9-19-14(18)15-13-10-11(2)17(16-13)12-7-5-4-6-8-12/h1,4-8,10H,9H2,2H3,(H,15,16,18).
What are the key properties of prop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate?
prop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate has a molecular weight of 255.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N-(5-methyl-1-phenylpyrazol-3-yl)carbamate is sourced from PubChem (CID 2726214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).