1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-chlorophenyl)pyrazol-5-amine

C19H10ClF6N5 — CID 3835977

IUPAC1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-chlorophenyl)pyrazol-5-amine
SMILESNc1c(-c2ccc(Cl)cc2)cnn1-c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1
InChIInChI=1S/C19H10ClF6N5/c20-10-3-1-9(2-4-10)12-8-28-31(16(12)27)15-6-5-11-13(18(21,22)23)7-14(19(24,25)26)29-17(11)30-15/h1-8H,27H2
InChIKeyPFLPRSJGBWWWLB-UHFFFAOYSA-N
MW457.77 g/mol
LogP5.76
Rot. Bonds2

About 1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-chlorophenyl)pyrazol-5-amine

1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-chlorophenyl)pyrazol-5-amine (PubChem CID 3835977) has the molecular formula C19H10ClF6N5 and a molecular weight of 457.77 g/mol. Its IUPAC name is 1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-chlorophenyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-chlorophenyl)pyrazol-5-amine
PubChem CID3835977
Molecular FormulaC19H10ClF6N5
Molecular Weight457.77 g/mol
Exact Mass457.05
IUPAC Name1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-chlorophenyl)pyrazol-5-amine
SMILESNc1c(-c2ccc(Cl)cc2)cnn1-c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1
InChIInChI=1S/C19H10ClF6N5/c20-10-3-1-9(2-4-10)12-8-28-31(16(12)27)15-6-5-11-13(18(21,22)23)7-14(19(24,25)26)29-17(11)30-15/h1-8H,27H2
InChIKeyPFLPRSJGBWWWLB-UHFFFAOYSA-N
XLogP5.76
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.77
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-chlorophenyl)pyrazol-5-amine?
The IUPAC name of 1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-chlorophenyl)pyrazol-5-amine (CID 3835977) is 1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-chlorophenyl)pyrazol-5-amine.
What is the SMILES notation for 1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-chlorophenyl)pyrazol-5-amine?
The canonical SMILES for 1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-chlorophenyl)pyrazol-5-amine is Nc1c(-c2ccc(Cl)cc2)cnn1-c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1.
What is the InChIKey of 1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-chlorophenyl)pyrazol-5-amine?
The InChIKey is PFLPRSJGBWWWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClF6N5/c20-10-3-1-9(2-4-10)12-8-28-31(16(12)27)15-6-5-11-13(18(21,22)23)7-14(19(24,25)26)29-17(11)30-15/h1-8H,27H2.
What are the key properties of 1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-chlorophenyl)pyrazol-5-amine?
1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-chlorophenyl)pyrazol-5-amine has a molecular weight of 457.77 g/mol, XLogP of 5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-4-(4-chlorophenyl)pyrazol-5-amine is sourced from PubChem (CID 3835977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).