N-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide

C14H18ClF2N5O — CID 19539526

IUPACN-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
SMILESCc1cc(C(F)F)nn1C(C)C(=O)NCCCn1cc(Cl)cn1
InChIInChI=1S/C14H18ClF2N5O/c1-9-6-12(13(16)17)20-22(9)10(2)14(23)18-4-3-5-21-8-11(15)7-19-21/h6-8,10,13H,3-5H2,1-2H3,(H,18,23)
InChIKeyIIXMTHFQTVABLJ-UHFFFAOYSA-N
MW345.78 g/mol
LogP2.75
Rot. Bonds7

About N-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide

N-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide (PubChem CID 19539526) has the molecular formula C14H18ClF2N5O and a molecular weight of 345.78 g/mol. Its IUPAC name is N-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
PubChem CID19539526
Molecular FormulaC14H18ClF2N5O
Molecular Weight345.78 g/mol
Exact Mass345.12
IUPAC NameN-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
SMILESCc1cc(C(F)F)nn1C(C)C(=O)NCCCn1cc(Cl)cn1
InChIInChI=1S/C14H18ClF2N5O/c1-9-6-12(13(16)17)20-22(9)10(2)14(23)18-4-3-5-21-8-11(15)7-19-21/h6-8,10,13H,3-5H2,1-2H3,(H,18,23)
InChIKeyIIXMTHFQTVABLJ-UHFFFAOYSA-N
XLogP2.75
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 52.75
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
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)propanamide
CID 19537379
2-(4-chloropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19538607
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19283452
(2R)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanehydrazide
CID 7018494
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]propanamide
CID 19535319
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525923
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(4-methylpyrazol-1-yl)propyl]propanamide
CID 19328178
N-[3-(4-chloropyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519261
4-bromo-N-[3-(4-chloropyrazol-1-yl)propyl]-1,3-dimethylpyrazole-5-carboxamide
CID 19480524
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19535289

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide?
The IUPAC name of N-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide (CID 19539526) is N-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide.
What is the SMILES notation for N-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide?
The canonical SMILES for N-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide is Cc1cc(C(F)F)nn1C(C)C(=O)NCCCn1cc(Cl)cn1.
What is the InChIKey of N-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide?
The InChIKey is IIXMTHFQTVABLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2N5O/c1-9-6-12(13(16)17)20-22(9)10(2)14(23)18-4-3-5-21-8-11(15)7-19-21/h6-8,10,13H,3-5H2,1-2H3,(H,18,23).
What are the key properties of N-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide?
N-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide has a molecular weight of 345.78 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloropyrazol-1-yl)propyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide is sourced from PubChem (CID 19539526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).