4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide

C19H22ClN3O3 — CID 121145130

IUPAC4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)Nc1cnn(CC2CCCCO2)c1
InChIInChI=1S/C19H22ClN3O3/c20-15-6-4-14(5-7-15)18(24)8-9-19(25)22-16-11-21-23(12-16)13-17-3-1-2-10-26-17/h4-7,11-12,17H,1-3,8-10,13H2,(H,22,25)
InChIKeyAEXUXVPMPFOFJO-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.71
Rot. Bonds7

About 4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide

4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide (PubChem CID 121145130) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide
PubChem CID121145130
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)Nc1cnn(CC2CCCCO2)c1
InChIInChI=1S/C19H22ClN3O3/c20-15-6-4-14(5-7-15)18(24)8-9-19(25)22-16-11-21-23(12-16)13-17-3-1-2-10-26-17/h4-7,11-12,17H,1-3,8-10,13H2,(H,22,25)
InChIKeyAEXUXVPMPFOFJO-UHFFFAOYSA-N
XLogP3.71
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxo-4-phenylbutanamide
CID 121016948
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129354441
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121016977
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
2-(4-chlorophenoxy)-2-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 121145209
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
2-cyclopentylsulfanyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355659
4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 60842431
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 129355488
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-2-pyridin-3-ylacetamide
CID 119099770

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide (CID 121145130) is 4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)cc1)Nc1cnn(CC2CCCCO2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide?
The InChIKey is AEXUXVPMPFOFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c20-15-6-4-14(5-7-15)18(24)8-9-19(25)22-16-11-21-23(12-16)13-17-3-1-2-10-26-17/h4-7,11-12,17H,1-3,8-10,13H2,(H,22,25).
What are the key properties of 4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide?
4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide has a molecular weight of 375.86 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide is sourced from PubChem (CID 121145130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).