prop-2-ynyl N-(4,5-dimethyl-1H-pyrazol-3-yl)carbamate

C9H11N3O2 — CID 130658806

IUPACprop-2-ynyl N-(4,5-dimethyl-1H-pyrazol-3-yl)carbamate
SMILESC#CCOC(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C9H11N3O2/c1-4-5-14-9(13)10-8-6(2)7(3)11-12-8/h1H,5H2,2-3H3,(H2,10,11,12,13)
InChIKeyXIPCSTIDLQPPRI-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.21
Rot. Bonds2

About prop-2-ynyl N-(4,5-dimethyl-1H-pyrazol-3-yl)carbamate

prop-2-ynyl N-(4,5-dimethyl-1H-pyrazol-3-yl)carbamate (PubChem CID 130658806) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is prop-2-ynyl N-(4,5-dimethyl-1H-pyrazol-3-yl)carbamate.

Molecular Properties

Compound Nameprop-2-ynyl N-(4,5-dimethyl-1H-pyrazol-3-yl)carbamate
PubChem CID130658806
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Nameprop-2-ynyl N-(4,5-dimethyl-1H-pyrazol-3-yl)carbamate
SMILESC#CCOC(=O)Nc1n[nH]c(C)c1C
InChIInChI=1S/C9H11N3O2/c1-4-5-14-9(13)10-8-6(2)7(3)11-12-8/h1H,5H2,2-3H3,(H2,10,11,12,13)
InChIKeyXIPCSTIDLQPPRI-UHFFFAOYSA-N
XLogP1.21
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104618733
prop-2-ynyl N-[2-methyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]carbamate
CID 2727124
2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104617747
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)butanamide
CID 104618696
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methoxypropanamide
CID 104618673
3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxypropanamide
CID 106113701
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3,4,5,6-pentafluorobenzamide
CID 104620121
3-[(4,5-dimethyl-1H-pyrazol-3-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 113433457
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methoxy-3-methylbutanamide
CID 103021329
2-(4-aminophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 104616438
4,5-dimethyl-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 130686848
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-methoxypentanamide
CID 104618869

Frequently Asked Questions

What is the IUPAC name of prop-2-ynyl N-(4,5-dimethyl-1H-pyrazol-3-yl)carbamate?
The IUPAC name of prop-2-ynyl N-(4,5-dimethyl-1H-pyrazol-3-yl)carbamate (CID 130658806) is prop-2-ynyl N-(4,5-dimethyl-1H-pyrazol-3-yl)carbamate.
What is the SMILES notation for prop-2-ynyl N-(4,5-dimethyl-1H-pyrazol-3-yl)carbamate?
The canonical SMILES for prop-2-ynyl N-(4,5-dimethyl-1H-pyrazol-3-yl)carbamate is C#CCOC(=O)Nc1n[nH]c(C)c1C.
What is the InChIKey of prop-2-ynyl N-(4,5-dimethyl-1H-pyrazol-3-yl)carbamate?
The InChIKey is XIPCSTIDLQPPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-4-5-14-9(13)10-8-6(2)7(3)11-12-8/h1H,5H2,2-3H3,(H2,10,11,12,13).
What are the key properties of prop-2-ynyl N-(4,5-dimethyl-1H-pyrazol-3-yl)carbamate?
prop-2-ynyl N-(4,5-dimethyl-1H-pyrazol-3-yl)carbamate has a molecular weight of 193.21 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-ynyl N-(4,5-dimethyl-1H-pyrazol-3-yl)carbamate is sourced from PubChem (CID 130658806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).