2-(2-chlorophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)propanamide

C15H18ClN3O2 — CID 115619839

IUPAC2-(2-chlorophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)propanamide
SMILESCCCc1cc(NC(=O)C(C)Oc2ccccc2Cl)n[nH]1
InChIInChI=1S/C15H18ClN3O2/c1-3-6-11-9-14(19-18-11)17-15(20)10(2)21-13-8-5-4-7-12(13)16/h4-5,7-10H,3,6H2,1-2H3,(H2,17,18,19,20)
InChIKeyVETZPRIZAXQFOE-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.42
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)propanamide

2-(2-chlorophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)propanamide (PubChem CID 115619839) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)propanamide
PubChem CID115619839
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-(2-chlorophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)propanamide
SMILESCCCc1cc(NC(=O)C(C)Oc2ccccc2Cl)n[nH]1
InChIInChI=1S/C15H18ClN3O2/c1-3-6-11-9-14(19-18-11)17-15(20)10(2)21-13-8-5-4-7-12(13)16/h4-5,7-10H,3,6H2,1-2H3,(H2,17,18,19,20)
InChIKeyVETZPRIZAXQFOE-UHFFFAOYSA-N
XLogP3.42
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 115619750
2-(2-chlorophenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 46581275
(2S)-2-(2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30863929
2-(4-chlorophenyl)sulfanyl-N-(5-propyl-1H-pyrazol-3-yl)propanamide
CID 115621102
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906
2-(2-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]propanehydrazide
CID 4932286
(2R)-2-(2-chlorophenoxy)-N-(ethylcarbamoyl)propanamide
CID 2631962
4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115619793
(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 92675918
2-(carbamoylamino)-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)pentanamide
CID 115633314
2-(2-chlorophenoxy)-N-[4-(ethylcarbamothioylamino)phenyl]propanamide
CID 43888076
2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)propanamide (CID 115619839) is 2-(2-chlorophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)propanamide is CCCc1cc(NC(=O)C(C)Oc2ccccc2Cl)n[nH]1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is VETZPRIZAXQFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-6-11-9-14(19-18-11)17-15(20)10(2)21-13-8-5-4-7-12(13)16/h4-5,7-10H,3,6H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-(2-chlorophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)propanamide?
2-(2-chlorophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 307.78 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 115619839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).