3-chloro-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine

C13H14ClF3N4 — CID 78989659

IUPAC3-chloro-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCc1nn(C)c(C)c1CNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H14ClF3N4/c1-7-10(8(2)21(3)20-7)6-19-12-11(14)4-9(5-18-12)13(15,16)17/h4-5H,6H2,1-3H3,(H,18,19)
InChIKeyBCXUDUYWGPVSED-UHFFFAOYSA-N
MW318.73 g/mol
LogP3.72
Rot. Bonds3

About 3-chloro-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine

3-chloro-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine (PubChem CID 78989659) has the molecular formula C13H14ClF3N4 and a molecular weight of 318.73 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
PubChem CID78989659
Molecular FormulaC13H14ClF3N4
Molecular Weight318.73 g/mol
Exact Mass318.09
IUPAC Name3-chloro-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCc1nn(C)c(C)c1CNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H14ClF3N4/c1-7-10(8(2)21(3)20-7)6-19-12-11(14)4-9(5-18-12)13(15,16)17/h4-5H,6H2,1-3H3,(H,18,19)
InChIKeyBCXUDUYWGPVSED-UHFFFAOYSA-N
XLogP3.72
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine (CID 78989659) is 3-chloro-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine is Cc1nn(C)c(C)c1CNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is BCXUDUYWGPVSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N4/c1-7-10(8(2)21(3)20-7)6-19-12-11(14)4-9(5-18-12)13(15,16)17/h4-5H,6H2,1-3H3,(H,18,19).
What are the key properties of 3-chloro-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine?
3-chloro-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 318.73 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 78989659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).