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

C15H18ClN3O2 — CID 47935073

IUPAC2-(3-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C15H18ClN3O2/c1-9(2)13-8-14(19-18-13)17-15(20)10(3)21-12-6-4-5-11(16)7-12/h4-10H,1-3H3,(H2,17,18,19,20)
InChIKeyVDLFJRSINTTYDB-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.59
Rot. Bonds5

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

2-(3-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide (PubChem CID 47935073) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
PubChem CID47935073
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-(3-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C15H18ClN3O2/c1-9(2)13-8-14(19-18-13)17-15(20)10(3)21-12-6-4-5-11(16)7-12/h4-10H,1-3H3,(H2,17,18,19,20)
InChIKeyVDLFJRSINTTYDB-UHFFFAOYSA-N
XLogP3.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide
CID 52792045
(2R)-2-(3-chlorophenoxy)-N-pyridin-2-ylpropanamide
CID 40533142
(2R)-2-(4-cyanophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide
CID 94796234
2-(3-chlorophenoxy)-N-(6-fluoro-2-pyridinyl)propanamide
CID 104820692
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 134019227
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
1-(2,5-dichlorophenyl)-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
CID 104620466
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide (CID 47935073) is 2-(3-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1cc(C(C)C)[nH]n1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide?
The InChIKey is VDLFJRSINTTYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-9(2)13-8-14(19-18-13)17-15(20)10(3)21-12-6-4-5-11(16)7-12/h4-10H,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-(3-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide?
2-(3-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide has a molecular weight of 307.78 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 47935073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).