2-(3-chlorophenoxy)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]propanamide

C16H18ClN3O2 — CID 110280822

IUPAC2-(3-chlorophenoxy)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cnn(CC2CC2)c1
InChIInChI=1S/C16H18ClN3O2/c1-11(22-15-4-2-3-13(17)7-15)16(21)19-14-8-18-20(10-14)9-12-5-6-12/h2-4,7-8,10-12H,5-6,9H2,1H3,(H,19,21)
InChIKeyQSFLSQCELSSBLV-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.35
Rot. Bonds6

About 2-(3-chlorophenoxy)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]propanamide

2-(3-chlorophenoxy)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]propanamide (PubChem CID 110280822) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]propanamide
PubChem CID110280822
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name2-(3-chlorophenoxy)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cnn(CC2CC2)c1
InChIInChI=1S/C16H18ClN3O2/c1-11(22-15-4-2-3-13(17)7-15)16(21)19-14-8-18-20(10-14)9-12-5-6-12/h2-4,7-8,10-12H,5-6,9H2,1H3,(H,19,21)
InChIKeyQSFLSQCELSSBLV-UHFFFAOYSA-N
XLogP3.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
CID 52503874
1-[(3-chlorophenoxy)methyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 95749219
(2S)-2-(4-chlorophenoxy)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]propanamide
CID 155950480
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64794507
(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide
CID 966199
2-(3-bromophenoxy)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]propanamide
CID 110279319
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
2-(3-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66006623

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]propanamide (CID 110280822) is 2-(3-chlorophenoxy)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1cnn(CC2CC2)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]propanamide?
The InChIKey is QSFLSQCELSSBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-11(22-15-4-2-3-13(17)7-15)16(21)19-14-8-18-20(10-14)9-12-5-6-12/h2-4,7-8,10-12H,5-6,9H2,1H3,(H,19,21).
What are the key properties of 2-(3-chlorophenoxy)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]propanamide?
2-(3-chlorophenoxy)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]propanamide has a molecular weight of 319.79 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 110280822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).