2-(4-chlorophenoxy)-2-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]propanamide

C19H24ClN3O3 — CID 121145209

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cnn(CC2CCCCO2)c1
InChIInChI=1S/C19H24ClN3O3/c1-19(2,26-16-8-6-14(20)7-9-16)18(24)22-15-11-21-23(12-15)13-17-5-3-4-10-25-17/h6-9,11-12,17H,3-5,10,13H2,1-2H3,(H,22,24)
InChIKeySSKCHHLFLMXTML-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.90
Rot. Bonds6

About 2-(4-chlorophenoxy)-2-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]propanamide (PubChem CID 121145209) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]propanamide
PubChem CID121145209
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cnn(CC2CCCCO2)c1
InChIInChI=1S/C19H24ClN3O3/c1-19(2,26-16-8-6-14(20)7-9-16)18(24)22-15-11-21-23(12-15)13-17-5-3-4-10-25-17/h6-9,11-12,17H,3-5,10,13H2,1-2H3,(H,22,24)
InChIKeySSKCHHLFLMXTML-UHFFFAOYSA-N
XLogP3.90
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129354441
4-chloro-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145185
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethoxy)benzamide
CID 129356006
4-(4-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-4-oxobutanamide
CID 121145130
2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
2-bromo-5-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145129
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
2-(2-chlorophenyl)-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121016977
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 129354391
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
3,4,5-trimethoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]benzamide
CID 121145179

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]propanamide (CID 121145209) is 2-(4-chlorophenoxy)-2-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cnn(CC2CCCCO2)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]propanamide?
The InChIKey is SSKCHHLFLMXTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-19(2,26-16-8-6-14(20)7-9-16)18(24)22-15-11-21-23(12-15)13-17-5-3-4-10-25-17/h6-9,11-12,17H,3-5,10,13H2,1-2H3,(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]propanamide has a molecular weight of 377.87 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 121145209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).