1-butyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine

C14H20F3N5 — CID 19626310

IUPAC1-butyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine
SMILESCCCCn1nc(NCc2cc(C(F)(F)F)n(C)n2)cc1C
InChIInChI=1S/C14H20F3N5/c1-4-5-6-22-10(2)7-13(20-22)18-9-11-8-12(14(15,16)17)21(3)19-11/h7-8H,4-6,9H2,1-3H3,(H,18,20)
InChIKeyIKNDINXBYMJIRJ-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.36
Rot. Bonds6

About 1-butyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine

1-butyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine (PubChem CID 19626310) has the molecular formula C14H20F3N5 and a molecular weight of 315.34 g/mol. Its IUPAC name is 1-butyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-butyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine
PubChem CID19626310
Molecular FormulaC14H20F3N5
Molecular Weight315.34 g/mol
Exact Mass315.17
IUPAC Name1-butyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine
SMILESCCCCn1nc(NCc2cc(C(F)(F)F)n(C)n2)cc1C
InChIInChI=1S/C14H20F3N5/c1-4-5-6-22-10(2)7-13(20-22)18-9-11-8-12(14(15,16)17)21(3)19-11/h7-8H,4-6,9H2,1-3H3,(H,18,20)
InChIKeyIKNDINXBYMJIRJ-UHFFFAOYSA-N
XLogP3.36
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine?
The IUPAC name of 1-butyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine (CID 19626310) is 1-butyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine.
What is the SMILES notation for 1-butyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine?
The canonical SMILES for 1-butyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine is CCCCn1nc(NCc2cc(C(F)(F)F)n(C)n2)cc1C.
What is the InChIKey of 1-butyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine?
The InChIKey is IKNDINXBYMJIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5/c1-4-5-6-22-10(2)7-13(20-22)18-9-11-8-12(14(15,16)17)21(3)19-11/h7-8H,4-6,9H2,1-3H3,(H,18,20).
What are the key properties of 1-butyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine?
1-butyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine has a molecular weight of 315.34 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-3-amine is sourced from PubChem (CID 19626310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).