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

C14H16ClF4N5O — CID 19535930

IUPAC2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
SMILESCC(C(=O)NCCCn1cccn1)n1nc(C(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C14H16ClF4N5O/c1-8(14(25)20-4-2-6-23-7-3-5-21-23)24-11(13(18)19)9(15)10(22-24)12(16)17/h3,5,7-8,12-13H,2,4,6H2,1H3,(H,20,25)
InChIKeyZOZIRHGPVUKEAR-UHFFFAOYSA-N
MW381.76 g/mol
LogP3.38
Rot. Bonds8

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

2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide (PubChem CID 19535930) has the molecular formula C14H16ClF4N5O and a molecular weight of 381.76 g/mol. Its IUPAC name is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
PubChem CID19535930
Molecular FormulaC14H16ClF4N5O
Molecular Weight381.76 g/mol
Exact Mass381.10
IUPAC Name2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
SMILESCC(C(=O)NCCCn1cccn1)n1nc(C(F)F)c(Cl)c1C(F)F
InChIInChI=1S/C14H16ClF4N5O/c1-8(14(25)20-4-2-6-23-7-3-5-21-23)24-11(13(18)19)9(15)10(22-24)12(16)17/h3,5,7-8,12-13H,2,4,6H2,1H3,(H,20,25)
InChIKeyZOZIRHGPVUKEAR-UHFFFAOYSA-N
XLogP3.38
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.76
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19535324
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 19535918
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 19535671
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19531769
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
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-(4-ethoxyphenyl)propanamide
CID 19535701
2-methyl-3-pyrazol-1-yl-N-(3-pyrazol-1-ylpropyl)propanamide
CID 131920894
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(1-methylbenzimidazol-2-yl)propanamide
CID 19535702
tert-butyl N-(3-pyrazol-1-ylpropyl)carbamate
CID 69176267
3-methyl-N-(3-pyrazol-1-ylpropyl)butanamide
CID 51077805
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide
CID 19532978

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide?
The IUPAC name of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide (CID 19535930) is 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide.
What is the SMILES notation for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide?
The canonical SMILES for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide is CC(C(=O)NCCCn1cccn1)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-pyrazol-1-ylpropyl)propanamide?
The InChIKey is ZOZIRHGPVUKEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF4N5O/c1-8(14(25)20-4-2-6-23-7-3-5-21-23)24-11(13(18)19)9(15)10(22-24)12(16)17/h3,5,7-8,12-13H,2,4,6H2,1H3,(H,20,25).
What are the key properties of 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide?
2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide has a molecular weight of 381.76 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3-pyrazol-1-ylpropyl)propanamide is sourced from PubChem (CID 19535930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).