N-cyclopropyl-1,4-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-3-carboxamide

C16H17F3N4O — CID 172639006

IUPACN-cyclopropyl-1,4-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CC2)nn(C)c1Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H17F3N4O/c1-9-12(7-10-3-6-13(20-8-10)16(17,18)19)23(2)22-14(9)15(24)21-11-4-5-11/h3,6,8,11H,4-5,7H2,1-2H3,(H,21,24)
InChIKeyAMRWUDNUTGWQIA-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.63
Rot. Bonds4

About N-cyclopropyl-1,4-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-3-carboxamide

N-cyclopropyl-1,4-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-3-carboxamide (PubChem CID 172639006) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is N-cyclopropyl-1,4-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1,4-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-3-carboxamide
PubChem CID172639006
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC NameN-cyclopropyl-1,4-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CC2)nn(C)c1Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H17F3N4O/c1-9-12(7-10-3-6-13(20-8-10)16(17,18)19)23(2)22-14(9)15(24)21-11-4-5-11/h3,6,8,11H,4-5,7H2,1-2H3,(H,21,24)
InChIKeyAMRWUDNUTGWQIA-UHFFFAOYSA-N
XLogP2.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,4-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-1,4-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-3-carboxamide (CID 172639006) is N-cyclopropyl-1,4-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1,4-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1,4-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-3-carboxamide is Cc1c(C(=O)NC2CC2)nn(C)c1Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-cyclopropyl-1,4-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-3-carboxamide?
The InChIKey is AMRWUDNUTGWQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-9-12(7-10-3-6-13(20-8-10)16(17,18)19)23(2)22-14(9)15(24)21-11-4-5-11/h3,6,8,11H,4-5,7H2,1-2H3,(H,21,24).
What are the key properties of N-cyclopropyl-1,4-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-3-carboxamide?
N-cyclopropyl-1,4-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-3-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,4-dimethyl-5-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 172639006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).