4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide

C20H25N5O3 — CID 60591485

IUPAC4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C20H25N5O3/c26-19(18-3-1-14-28-18)23-10-12-24(13-11-23)20(27)22-17-6-4-16(5-7-17)15-25-9-2-8-21-25/h2,4-9,18H,1,3,10-15H2,(H,22,27)
InChIKeyZFDQJEGZGBTSLU-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.79
Rot. Bonds4

About 4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide

4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide (PubChem CID 60591485) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide
PubChem CID60591485
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C20H25N5O3/c26-19(18-3-1-14-28-18)23-10-12-24(13-11-23)20(27)22-17-6-4-16(5-7-17)15-25-9-2-8-21-25/h2,4-9,18H,1,3,10-15H2,(H,22,27)
InChIKeyZFDQJEGZGBTSLU-UHFFFAOYSA-N
XLogP1.79
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 86871510
(3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 95266842
N-[4-[benzyl(methyl)amino]phenyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 60543369
N-[6-(diethylamino)-3-pyridinyl]-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94168439
N-[6-(diethylamino)-3-pyridinyl]-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 94168440
N-(3-chloro-4-methylphenyl)-4-[(2S)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 2476720
N-(4-methylphenyl)-4-[(2R)-oxetane-2-carbonyl]piperazine-1-carboxamide
CID 97247477
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971292
1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone
CID 51947513
4-[(2R)-oxolane-2-carbonyl]-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]piperazine-1-carboxamide
CID 96529164
(2S)-N-(4-ethylphenyl)-2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 51544326

Frequently Asked Questions

What is the IUPAC name of 4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide (CID 60591485) is 4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide is O=C(Nc1ccc(Cn2cccn2)cc1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is ZFDQJEGZGBTSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c26-19(18-3-1-14-28-18)23-10-12-24(13-11-23)20(27)22-17-6-4-16(5-7-17)15-25-9-2-8-21-25/h2,4-9,18H,1,3,10-15H2,(H,22,27).
What are the key properties of 4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide?
4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 60591485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).