5-chloro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine

C16H12ClF3N4 — CID 68722760

IUPAC5-chloro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine
SMILESFC(F)(F)c1ccc(-c2[nH]ncc2CNc2cncc(Cl)c2)cc1
InChIInChI=1S/C16H12ClF3N4/c17-13-5-14(9-21-8-13)22-6-11-7-23-24-15(11)10-1-3-12(4-2-10)16(18,19)20/h1-5,7-9,22H,6H2,(H,23,24)
InChIKeyCSJAQHNEHAZMBL-UHFFFAOYSA-N
MW352.75 g/mol
LogP4.76
Rot. Bonds4

About 5-chloro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine

5-chloro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine (PubChem CID 68722760) has the molecular formula C16H12ClF3N4 and a molecular weight of 352.75 g/mol. Its IUPAC name is 5-chloro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-chloro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine
PubChem CID68722760
Molecular FormulaC16H12ClF3N4
Molecular Weight352.75 g/mol
Exact Mass352.07
IUPAC Name5-chloro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine
SMILESFC(F)(F)c1ccc(-c2[nH]ncc2CNc2cncc(Cl)c2)cc1
InChIInChI=1S/C16H12ClF3N4/c17-13-5-14(9-21-8-13)22-6-11-7-23-24-15(11)10-1-3-12(4-2-10)16(18,19)20/h1-5,7-9,22H,6H2,(H,23,24)
InChIKeyCSJAQHNEHAZMBL-UHFFFAOYSA-N
XLogP4.76
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.75
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine?
The IUPAC name of 5-chloro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine (CID 68722760) is 5-chloro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine.
What is the SMILES notation for 5-chloro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine?
The canonical SMILES for 5-chloro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine is FC(F)(F)c1ccc(-c2[nH]ncc2CNc2cncc(Cl)c2)cc1.
What is the InChIKey of 5-chloro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine?
The InChIKey is CSJAQHNEHAZMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N4/c17-13-5-14(9-21-8-13)22-6-11-7-23-24-15(11)10-1-3-12(4-2-10)16(18,19)20/h1-5,7-9,22H,6H2,(H,23,24).
What are the key properties of 5-chloro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine?
5-chloro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine has a molecular weight of 352.75 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]pyridin-3-amine is sourced from PubChem (CID 68722760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).