N-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide

C18H24N4O2 — CID 122703629

IUPACN-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C18H24N4O2/c1-2-19-18(24)21-12-9-15(10-13-21)17(23)22-16(8-11-20-22)14-6-4-3-5-7-14/h3-7,11,15-16H,2,8-10,12-13H2,1H3,(H,19,24)
InChIKeyUISTYDSNYFNJAW-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.39
Rot. Bonds3

About N-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide

N-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide (PubChem CID 122703629) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide
PubChem CID122703629
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1
InChIInChI=1S/C18H24N4O2/c1-2-19-18(24)21-12-9-15(10-13-21)17(23)22-16(8-11-20-22)14-6-4-3-5-7-14/h3-7,11,15-16H,2,8-10,12-13H2,1H3,(H,19,24)
InChIKeyUISTYDSNYFNJAW-UHFFFAOYSA-N
XLogP2.39
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyrimidine-2-carbonyl)piperidin-4-yl]methanone
CID 122703779
1-[4-[3-(4-fluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one
CID 174882514
[1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703746
2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 134521790
[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 134521808
[1-(6-methoxypyrazin-2-yl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 134522244
1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 167538208
1-[4-[(3S)-3-(2-fluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one
CID 174882572
1-[4-[3-[4-(difluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one
CID 174882619
ethyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate
CID 3079077
[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 134521427
3-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 134522012

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide?
The IUPAC name of N-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide (CID 122703629) is N-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide is CCNC(=O)N1CCC(C(=O)N2N=CCC2c2ccccc2)CC1.
What is the InChIKey of N-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide?
The InChIKey is UISTYDSNYFNJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-2-19-18(24)21-12-9-15(10-13-21)17(23)22-16(8-11-20-22)14-6-4-3-5-7-14/h3-7,11,15-16H,2,8-10,12-13H2,1H3,(H,19,24).
What are the key properties of N-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide?
N-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 122703629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).