2-(difluoromethyl)-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide

C12H15F2N5O — CID 19323782

IUPAC2-(difluoromethyl)-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
SMILESCc1ccn(CCCNC(=O)c2ccnn2C(F)F)n1
InChIInChI=1S/C12H15F2N5O/c1-9-4-8-18(17-9)7-2-5-15-11(20)10-3-6-16-19(10)12(13)14/h3-4,6,8,12H,2,5,7H2,1H3,(H,15,20)
InChIKeyFUESIIWYMOLHIQ-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.60
Rot. Bonds6

About 2-(difluoromethyl)-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide

2-(difluoromethyl)-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide (PubChem CID 19323782) has the molecular formula C12H15F2N5O and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
PubChem CID19323782
Molecular FormulaC12H15F2N5O
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-(difluoromethyl)-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
SMILESCc1ccn(CCCNC(=O)c2ccnn2C(F)F)n1
InChIInChI=1S/C12H15F2N5O/c1-9-4-8-18(17-9)7-2-5-15-11(20)10-3-6-16-19(10)12(13)14/h3-4,6,8,12H,2,5,7H2,1H3,(H,15,20)
InChIKeyFUESIIWYMOLHIQ-UHFFFAOYSA-N
XLogP1.60
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.60
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-(difluoromethyl)-N-(2-methoxyethyl)pyrazole-3-carboxamide
CID 19506929
1-methyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide
CID 19323686
4-(difluoromethoxy)-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323728
2-[5-[3-(4-chloro-3-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19487678
N-[3-(3-methylpyrazol-1-yl)propyl]butanamide
CID 19323910
2,4-dichloro-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19323927
3,4-diethoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19297941
3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19297962
2-(difluoromethyl)-N-[(4-fluorophenyl)methyl]pyrazole-3-carboxamide
CID 19506738
N-[3-(3-methylpyrazol-1-yl)propyl]cyclohexanecarboxamide
CID 19323903
5-[(4-fluorophenoxy)methyl]-N-[3-(3-methylpyrazol-1-yl)propyl]furan-2-carboxamide
CID 19297951
2-[5-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19487635

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide (CID 19323782) is 2-(difluoromethyl)-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide is Cc1ccn(CCCNC(=O)c2ccnn2C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide?
The InChIKey is FUESIIWYMOLHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5O/c1-9-4-8-18(17-9)7-2-5-15-11(20)10-3-6-16-19(10)12(13)14/h3-4,6,8,12H,2,5,7H2,1H3,(H,15,20).
What are the key properties of 2-(difluoromethyl)-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide?
2-(difluoromethyl)-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide has a molecular weight of 283.28 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19323782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).