N-[2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

C17H24N4O2 — CID 42119764

IUPACN-[2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCC(C)=CC(=O)N1CCC(n2nccc2NC(=O)C2CC2)CC1
InChIInChI=1S/C17H24N4O2/c1-12(2)11-16(22)20-9-6-14(7-10-20)21-15(5-8-18-21)19-17(23)13-3-4-13/h5,8,11,13-14H,3-4,6-7,9-10H2,1-2H3,(H,19,23)
InChIKeyUACFKKDLALQMSZ-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.36
Rot. Bonds4

About N-[2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide

N-[2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (PubChem CID 42119764) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
PubChem CID42119764
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-[2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
SMILESCC(C)=CC(=O)N1CCC(n2nccc2NC(=O)C2CC2)CC1
InChIInChI=1S/C17H24N4O2/c1-12(2)11-16(22)20-9-6-14(7-10-20)21-15(5-8-18-21)19-17(23)13-3-4-13/h5,8,11,13-14H,3-4,6-7,9-10H2,1-2H3,(H,19,23)
InChIKeyUACFKKDLALQMSZ-UHFFFAOYSA-N
XLogP2.36
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-{1-[1-(2,6-dimethyl-5-hepten-1-yl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
CID 24818932
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 56811009
2-(2-methyl-3-oxo-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 72119584
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
N-(1-cyclohexyl-1H-pyrazol-5-yl)-2-cyclopropylacetamide
CID 29022543
N-(2-cyclohexylpyrazol-3-yl)propanamide
CID 40199343
3-methyl-N-{1-[1-(3,3,3-trifluoro-1-methylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 45930241
2-methyl-N-[2-[(2S)-3-methylbutan-2-yl]pyrazol-3-yl]-6-oxo-1H-pyridine-4-carboxamide
CID 52381063
N-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanamide
CID 52400436
N-(2-cyclopentylpyrazol-3-yl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 71973413
(2R)-2-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
CID 97258233

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide (CID 42119764) is N-[2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is CC(C)=CC(=O)N1CCC(n2nccc2NC(=O)C2CC2)CC1.
What is the InChIKey of N-[2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
The InChIKey is UACFKKDLALQMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(2)11-16(22)20-9-6-14(7-10-20)21-15(5-8-18-21)19-17(23)13-3-4-13/h5,8,11,13-14H,3-4,6-7,9-10H2,1-2H3,(H,19,23).
What are the key properties of N-[2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide?
N-[2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide has a molecular weight of 316.41 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-methylbut-2-enoyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 42119764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).