1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C13H16F3N5O — CID 19480219

IUPAC1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1ccnn1CCCNC(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C13H16F3N5O/c1-9-4-6-18-21(9)7-3-5-17-12(22)10-8-11(13(14,15)16)19-20(10)2/h4,6,8H,3,5,7H2,1-2H3,(H,17,22)
InChIKeyIQXYUUBDAGCXMH-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.76
Rot. Bonds5

About 1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19480219) has the molecular formula C13H16F3N5O and a molecular weight of 315.30 g/mol. Its IUPAC name is 1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19480219
Molecular FormulaC13H16F3N5O
Molecular Weight315.30 g/mol
Exact Mass315.13
IUPAC Name1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCc1ccnn1CCCNC(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C13H16F3N5O/c1-9-4-6-18-21(9)7-3-5-17-12(22)10-8-11(13(14,15)16)19-20(10)2/h4,6,8H,3,5,7H2,1-2H3,(H,17,22)
InChIKeyIQXYUUBDAGCXMH-UHFFFAOYSA-N
XLogP1.76
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.76
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

N-[3-(5-methylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519236
N-butyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480290
ethyl 1-methyl-3-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylate
CID 19267156
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2-methylpyrazole-3-carboxamide
CID 17020642
1-methyl-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 74250558
4-bromo-1,3-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-5-carboxamide
CID 19480499
1-ethyl-3,5-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide
CID 19472186
3-chloro-5-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19327823
1-methyl-4-[3-(5-methylpyrazol-1-yl)propylcarbamoyl]pyrazole-5-carboxylic acid
CID 19623863
3,4-dimethoxy-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327875
5-(4-fluorophenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 19327900
N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]thiophene-2-carboxamide
CID 2225442

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19480219) is 1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cc1ccnn1CCCNC(=O)c1cc(C(F)(F)F)nn1C.
What is the InChIKey of 1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is IQXYUUBDAGCXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O/c1-9-4-6-18-21(9)7-3-5-17-12(22)10-8-11(13(14,15)16)19-20(10)2/h4,6,8H,3,5,7H2,1-2H3,(H,17,22).
What are the key properties of 1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 315.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(5-methylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19480219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).