N-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C17H21F3N4O — CID 46605564

IUPACN-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCCC(C)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C
InChIInChI=1S/C17H21F3N4O/c1-5-11(4)23-16(25)13-9-22-24(15(13)10(2)3)14-7-6-12(8-21-14)17(18,19)20/h6-11H,5H2,1-4H3,(H,23,25)
InChIKeyUYXOIWXROOTMSL-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.94
Rot. Bonds5

About N-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

N-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 46605564) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is N-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID46605564
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC NameN-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESCCC(C)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C
InChIInChI=1S/C17H21F3N4O/c1-5-11(4)23-16(25)13-9-22-24(15(13)10(2)3)14-7-6-12(8-21-14)17(18,19)20/h6-11H,5H2,1-4H3,(H,23,25)
InChIKeyUYXOIWXROOTMSL-UHFFFAOYSA-N
XLogP3.94
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 46605564) is N-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is CCC(C)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(C)C.
What is the InChIKey of N-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is UYXOIWXROOTMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O/c1-5-11(4)23-16(25)13-9-22-24(15(13)10(2)3)14-7-6-12(8-21-14)17(18,19)20/h6-11H,5H2,1-4H3,(H,23,25).
What are the key properties of N-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
N-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46605564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).