N-[(4-chlorophenyl)methyl]-6-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine

C17H14ClF3N4 — CID 130397933

IUPACN-[(4-chlorophenyl)methyl]-6-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine
SMILESCn1cc(C(F)(F)F)c(-c2ccc(NCc3ccc(Cl)cc3)cn2)n1
InChIInChI=1S/C17H14ClF3N4/c1-25-10-14(17(19,20)21)16(24-25)15-7-6-13(9-23-15)22-8-11-2-4-12(18)5-3-11/h2-7,9-10,22H,8H2,1H3
InChIKeyOYSMPPNCKORYRM-UHFFFAOYSA-N
MW366.77 g/mol
LogP4.77
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-6-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine

N-[(4-chlorophenyl)methyl]-6-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine (PubChem CID 130397933) has the molecular formula C17H14ClF3N4 and a molecular weight of 366.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine
PubChem CID130397933
Molecular FormulaC17H14ClF3N4
Molecular Weight366.77 g/mol
Exact Mass366.09
IUPAC NameN-[(4-chlorophenyl)methyl]-6-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine
SMILESCn1cc(C(F)(F)F)c(-c2ccc(NCc3ccc(Cl)cc3)cn2)n1
InChIInChI=1S/C17H14ClF3N4/c1-25-10-14(17(19,20)21)16(24-25)15-7-6-13(9-23-15)22-8-11-2-4-12(18)5-3-11/h2-7,9-10,22H,8H2,1H3
InChIKeyOYSMPPNCKORYRM-UHFFFAOYSA-N
XLogP4.77
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.77
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine (CID 130397933) is N-[(4-chlorophenyl)methyl]-6-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine is Cn1cc(C(F)(F)F)c(-c2ccc(NCc3ccc(Cl)cc3)cn2)n1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine?
The InChIKey is OYSMPPNCKORYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4/c1-25-10-14(17(19,20)21)16(24-25)15-7-6-13(9-23-15)22-8-11-2-4-12(18)5-3-11/h2-7,9-10,22H,8H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-6-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine?
N-[(4-chlorophenyl)methyl]-6-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine has a molecular weight of 366.77 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]pyridin-3-amine is sourced from PubChem (CID 130397933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).