N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide

C10H13N3O — CID 78970434

IUPACN-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide
SMILESC#CCN(CC)C(=O)c1cnn(C)c1
InChIInChI=1S/C10H13N3O/c1-4-6-13(5-2)10(14)9-7-11-12(3)8-9/h1,7-8H,5-6H2,2-3H3
InChIKeyDFRKZXVIYMUSEP-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.52
Rot. Bonds3

About N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide

N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide (PubChem CID 78970434) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide
PubChem CID78970434
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide
SMILESC#CCN(CC)C(=O)c1cnn(C)c1
InChIInChI=1S/C10H13N3O/c1-4-6-13(5-2)10(14)9-7-11-12(3)8-9/h1,7-8H,5-6H2,2-3H3
InChIKeyDFRKZXVIYMUSEP-UHFFFAOYSA-N
XLogP0.52
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 61008278
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
1-(1-methylpyrazol-4-yl)but-3-yn-1-one
CID 65195300
N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 47140649
N-(2-bromoethyl)-1-methyl-N-propylpyrazole-4-carboxamide
CID 80661307
N-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide
CID 79725826
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide
CID 54987485
N-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide
CID 63755874
5,6-dichloro-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide
CID 78970727
N-ethyl-N-prop-2-ynylthiophene-3-carboxamide
CID 78970586
N-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78970661
2-[(1-methylpyrazole-4-carbonyl)-prop-2-enylamino]acetic acid
CID 79264280

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide?
The IUPAC name of N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide (CID 78970434) is N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide is C#CCN(CC)C(=O)c1cnn(C)c1.
What is the InChIKey of N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide?
The InChIKey is DFRKZXVIYMUSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-4-6-13(5-2)10(14)9-7-11-12(3)8-9/h1,7-8H,5-6H2,2-3H3.
What are the key properties of N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide?
N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide has a molecular weight of 191.23 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide is sourced from PubChem (CID 78970434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).