3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide

C15H16ClF2N3O3 — CID 19554010

IUPAC3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
SMILESCOc1cc(NC(=O)CCn2ncc(Cl)c2C)ccc1OC(F)F
InChIInChI=1S/C15H16ClF2N3O3/c1-9-11(16)8-19-21(9)6-5-14(22)20-10-3-4-12(24-15(17)18)13(7-10)23-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,20,22)
InChIKeyQBVJBDNVRPEVHO-UHFFFAOYSA-N
MW359.76 g/mol
LogP3.48
Rot. Bonds7

About 3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide

3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide (PubChem CID 19554010) has the molecular formula C15H16ClF2N3O3 and a molecular weight of 359.76 g/mol. Its IUPAC name is 3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
PubChem CID19554010
Molecular FormulaC15H16ClF2N3O3
Molecular Weight359.76 g/mol
Exact Mass359.08
IUPAC Name3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
SMILESCOc1cc(NC(=O)CCn2ncc(Cl)c2C)ccc1OC(F)F
InChIInChI=1S/C15H16ClF2N3O3/c1-9-11(16)8-19-21(9)6-5-14(22)20-10-3-4-12(24-15(17)18)13(7-10)23-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,20,22)
InChIKeyQBVJBDNVRPEVHO-UHFFFAOYSA-N
XLogP3.48
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.76
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19520668
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide
CID 19561563
4-chloro-N-[4-(difluoromethoxy)-3-methoxyphenyl]-1-methylpyrazole-5-carboxamide
CID 19475965
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522617
N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-iodo-3-methylpyrazol-1-yl)propanamide
CID 19550050
3-(4-chloro-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide
CID 19544155
2-(4-bromopyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]acetamide
CID 19524724
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide
CID 17024228
N-[4-(difluoromethoxy)-3-methoxyphenyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519269
1-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483030
3-(4-chloro-5-methylpyrazol-1-yl)-N-(3-methoxy-5-nitrophenyl)propanamide
CID 19552347
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3,4-dimethoxyphenyl)urea
CID 1297847

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide?
The IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide (CID 19554010) is 3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide.
What is the SMILES notation for 3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide?
The canonical SMILES for 3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide is COc1cc(NC(=O)CCn2ncc(Cl)c2C)ccc1OC(F)F.
What is the InChIKey of 3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide?
The InChIKey is QBVJBDNVRPEVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3O3/c1-9-11(16)8-19-21(9)6-5-14(22)20-10-3-4-12(24-15(17)18)13(7-10)23-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,20,22).
What are the key properties of 3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide?
3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide has a molecular weight of 359.76 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-methoxyphenyl]propanamide is sourced from PubChem (CID 19554010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).