N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide

C9H11N3O — CID 78975317

IUPACN-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide
SMILESC#CCN(CC)C(=O)c1cn[nH]c1
InChIInChI=1S/C9H11N3O/c1-3-5-12(4-2)9(13)8-6-10-11-7-8/h1,6-7H,4-5H2,2H3,(H,10,11)
InChIKeyPWAQDGHNNCFJOG-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.50
Rot. Bonds3

About N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide

N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide (PubChem CID 78975317) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide
PubChem CID78975317
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC NameN-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide
SMILESC#CCN(CC)C(=O)c1cn[nH]c1
InChIInChI=1S/C9H11N3O/c1-3-5-12(4-2)9(13)8-6-10-11-7-8/h1,6-7H,4-5H2,2H3,(H,10,11)
InChIKeyPWAQDGHNNCFJOG-UHFFFAOYSA-N
XLogP0.50
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63085431
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63938903
N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide
CID 102978931
N-ethyl-5-hydroxy-N-prop-2-ynylpyridine-3-carboxamide
CID 79725826
N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78970434
N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide
CID 43533016
5,6-dichloro-N-ethyl-N-prop-2-ynylpyridine-3-carboxamide
CID 78970727
N,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide
CID 62923169
N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide
CID 60959519
N-ethyl-N-prop-2-ynylthiophene-3-carboxamide
CID 78970586
N-ethyl-N-prop-2-ynyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78970661
N-ethyl-2-oxo-N-prop-2-ynyl-1H-pyridine-4-carboxamide
CID 103764491

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide (CID 78975317) is N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide is C#CCN(CC)C(=O)c1cn[nH]c1.
What is the InChIKey of N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide?
The InChIKey is PWAQDGHNNCFJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-3-5-12(4-2)9(13)8-6-10-11-7-8/h1,6-7H,4-5H2,2H3,(H,10,11).
What are the key properties of N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide?
N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide has a molecular weight of 177.21 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 78975317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).