N-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-2,2-dimethylpropanamide

C17H24N4O2 — CID 25447141

IUPACN-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-2,2-dimethylpropanamide
SMILESCC#CC(=O)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H24N4O2/c1-5-6-15(22)20-11-8-13(9-12-20)21-14(7-10-18-21)19-16(23)17(2,3)4/h7,10,13H,8-9,11-12H2,1-4H3,(H,19,23)
InChIKeyRPOIIZZWDOPMGP-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.05
Rot. Bonds2

About N-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-2,2-dimethylpropanamide

N-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-2,2-dimethylpropanamide (PubChem CID 25447141) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-2,2-dimethylpropanamide
PubChem CID25447141
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-2,2-dimethylpropanamide
SMILESCC#CC(=O)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H24N4O2/c1-5-6-15(22)20-11-8-13(9-12-20)21-14(7-10-18-21)19-16(23)17(2,3)4/h7,10,13H,8-9,11-12H2,1-4H3,(H,19,23)
InChIKeyRPOIIZZWDOPMGP-UHFFFAOYSA-N
XLogP2.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.05
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

4-(5-Amino-pyrazol-1-yl)-piperidine-1-carboxylic acid tert-butyl ester
CID 1094293
1-Butyl-3-(2-cyclohexylpyrazol-3-yl)urea
CID 2103165
N-{1-[1-(3-methylbutyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 24790483
2-(4-acetyl-1,4-diazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 45800016
N-(2-cyclopentylpyrazol-3-yl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 45863068
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 46981191
2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 53532059
2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 53590617
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 56811009
2-Piperidinone, 3-amino-1-(1-methyl-1H-pyrazol-3-yl)-
CID 54595667
2-(3,5-dimethylpiperidin-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 16294137
N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]-3-sulfanylpropanamide
CID 177681291

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-2,2-dimethylpropanamide (CID 25447141) is N-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-2,2-dimethylpropanamide is CC#CC(=O)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1.
What is the InChIKey of N-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-2,2-dimethylpropanamide?
The InChIKey is RPOIIZZWDOPMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-5-6-15(22)20-11-8-13(9-12-20)21-14(7-10-18-21)19-16(23)17(2,3)4/h7,10,13H,8-9,11-12H2,1-4H3,(H,19,23).
What are the key properties of N-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-2,2-dimethylpropanamide?
N-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-2,2-dimethylpropanamide has a molecular weight of 316.41 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-but-2-ynoylpiperidin-4-yl)pyrazol-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 25447141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).