N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-methylpyrazol-1-yl)propanamide

C17H22F3N5O — CID 19555876

IUPACN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)n1
InChIInChI=1S/C17H22F3N5O/c1-12-5-9-24(22-12)10-6-16(26)21-7-2-8-25-14(13-3-4-13)11-15(23-25)17(18,19)20/h5,9,11,13H,2-4,6-8,10H2,1H3,(H,21,26)
InChIKeyIPLRYRPBTJQAAR-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.88
Rot. Bonds8

About N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-methylpyrazol-1-yl)propanamide

N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 19555876) has the molecular formula C17H22F3N5O and a molecular weight of 369.39 g/mol. Its IUPAC name is N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID19555876
Molecular FormulaC17H22F3N5O
Molecular Weight369.39 g/mol
Exact Mass369.18
IUPAC NameN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)n1
InChIInChI=1S/C17H22F3N5O/c1-12-5-9-24(22-12)10-6-16(26)21-7-2-8-25-14(13-3-4-13)11-15(23-25)17(18,19)20/h5,9,11,13H,2-4,6-8,10H2,1H3,(H,21,26)
InChIKeyIPLRYRPBTJQAAR-UHFFFAOYSA-N
XLogP2.88
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.88
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

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]propanamide
CID 19563954
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563996
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563995
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19555573
1-butyl-3-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]urea
CID 19334007
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 121139501
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]acetamide
CID 19523153
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279711
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-4-fluorobenzamide
CID 19297898
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylpyrazole-3-carboxamide
CID 17020642
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19272898
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 19564000

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-methylpyrazol-1-yl)propanamide (CID 19555876) is N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(CCC(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)n1.
What is the InChIKey of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is IPLRYRPBTJQAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O/c1-12-5-9-24(22-12)10-6-16(26)21-7-2-8-25-14(13-3-4-13)11-15(23-25)17(18,19)20/h5,9,11,13H,2-4,6-8,10H2,1H3,(H,21,26).
What are the key properties of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-methylpyrazol-1-yl)propanamide?
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 369.39 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19555876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).