2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)propanamide

C14H20ClF4N3O2 — CID 19535918

IUPAC2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)C(C)n1nc(C(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C14H20ClF4N3O2/c1-7(2)24-6-4-5-20-14(23)8(3)22-11(13(18)19)9(15)10(21-22)12(16)17/h7-8,12-13H,4-6H2,1-3H3,(H,20,23)
InChIKeyDMZHWUBVOOQPHJ-UHFFFAOYSA-N
MW373.78 g/mol
LogP3.90
Rot. Bonds9

About 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)propanamide

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 19535918) has the molecular formula C14H20ClF4N3O2 and a molecular weight of 373.78 g/mol. Its IUPAC name is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID19535918
Molecular FormulaC14H20ClF4N3O2
Molecular Weight373.78 g/mol
Exact Mass373.12
IUPAC Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)propanamide
SMILESCC(C)OCCCNC(=O)C(C)n1nc(C(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C14H20ClF4N3O2/c1-7(2)24-6-4-5-20-14(23)8(3)22-11(13(18)19)9(15)10(21-22)12(16)17/h7-8,12-13H,4-6H2,1-3H3,(H,20,23)
InChIKeyDMZHWUBVOOQPHJ-UHFFFAOYSA-N
XLogP3.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-hexylpropanamide
CID 19535664
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19535930
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 19535671
2-(4-chloro-3-methylpyrazol-1-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 19534153
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]propanamide
CID 19535896
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylbenzimidazol-2-yl)propanamide
CID 19535702
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)propanamide
CID 19535669
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methoxy-5-methylphenyl)propanamide
CID 19535692
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propanamide
CID 19535926
(2S)-2-chloro-N-(3-propan-2-yloxypropyl)propanamide
CID 92660589
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19535789
ethyl 5-[2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 19535713

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)propanamide (CID 19535918) is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)propanamide is CC(C)OCCCNC(=O)C(C)n1nc(C(F)F)c(Cl)c1C(F)F.
What is the InChIKey of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is DMZHWUBVOOQPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClF4N3O2/c1-7(2)24-6-4-5-20-14(23)8(3)22-11(13(18)19)9(15)10(21-22)12(16)17/h7-8,12-13H,4-6H2,1-3H3,(H,20,23).
What are the key properties of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)propanamide?
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 373.78 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 19535918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).