N-(1H-pyrazol-4-yl)but-2-ynamide

C7H7N3O — CID 107261723

IUPACN-(1H-pyrazol-4-yl)but-2-ynamide
SMILESCC#CC(=O)Nc1cn[nH]c1
InChIInChI=1S/C7H7N3O/c1-2-3-7(11)10-6-4-8-9-5-6/h4-5H,1H3,(H,8,9)(H,10,11)
InChIKeyHIUSBNASCLBXMY-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.37
Rot. Bonds1

About N-(1H-pyrazol-4-yl)but-2-ynamide

N-(1H-pyrazol-4-yl)but-2-ynamide (PubChem CID 107261723) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is N-(1H-pyrazol-4-yl)but-2-ynamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-yl)but-2-ynamide
PubChem CID107261723
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC NameN-(1H-pyrazol-4-yl)but-2-ynamide
SMILESCC#CC(=O)Nc1cn[nH]c1
InChIInChI=1S/C7H7N3O/c1-2-3-7(11)10-6-4-8-9-5-6/h4-5H,1H3,(H,8,9)(H,10,11)
InChIKeyHIUSBNASCLBXMY-UHFFFAOYSA-N
XLogP0.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Acetylaminopyrazole
CID 12346894
N-Methyl-1H-pyrazol-4-amine
CID 206693
N-(1H-pyrazol-4-yl)but-2-ynamide hydrochloride
CID 155820287
2-methoxy-N-(1H-pyrazol-4-yl)acetamide
CID 20784748
N-(4-pyrazolyl)urea
CID 43540216
3-amino-2-methyl-N-(1H-pyrazol-4-yl)propanamide
CID 54592830
3,3-difluoro-2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
CID 126789290
2-[cyclopropyl(ethyl)amino]-N-(1H-pyrazol-4-yl)acetamide
CID 136517020
2,2,2-Trifluoro-N-(1H-pyrazol-4-yl)acetamide
CID 60999972
(Acetylamino)iodopyrazole
CID 129814460
N-(1H-pyrazol-4-yl)-2-(trifluoromethylsulfanyl)acetamide
CID 38016277
3,3,3-trifluoro-N-(1H-pyrazol-4-yl)propanamide
CID 43430688

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-yl)but-2-ynamide?
The IUPAC name of N-(1H-pyrazol-4-yl)but-2-ynamide (CID 107261723) is N-(1H-pyrazol-4-yl)but-2-ynamide.
What is the SMILES notation for N-(1H-pyrazol-4-yl)but-2-ynamide?
The canonical SMILES for N-(1H-pyrazol-4-yl)but-2-ynamide is CC#CC(=O)Nc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-yl)but-2-ynamide?
The InChIKey is HIUSBNASCLBXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c1-2-3-7(11)10-6-4-8-9-5-6/h4-5H,1H3,(H,8,9)(H,10,11).
What are the key properties of N-(1H-pyrazol-4-yl)but-2-ynamide?
N-(1H-pyrazol-4-yl)but-2-ynamide has a molecular weight of 149.15 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-yl)but-2-ynamide is sourced from PubChem (CID 107261723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).