N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine

C16H14F3N5 — CID 99835543

IUPACN-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCn1cc(CNc2cc(C(F)(F)F)ccn2)c(-c2ccncc2)n1
InChIInChI=1S/C16H14F3N5/c1-24-10-12(15(23-24)11-2-5-20-6-3-11)9-22-14-8-13(4-7-21-14)16(17,18)19/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyPGMMNJKIAVNRPI-UHFFFAOYSA-N
MW333.32 g/mol
LogP3.51
Rot. Bonds4

About N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine

N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 99835543) has the molecular formula C16H14F3N5 and a molecular weight of 333.32 g/mol. Its IUPAC name is N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID99835543
Molecular FormulaC16H14F3N5
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC NameN-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCn1cc(CNc2cc(C(F)(F)F)ccn2)c(-c2ccncc2)n1
InChIInChI=1S/C16H14F3N5/c1-24-10-12(15(23-24)11-2-5-20-6-3-11)9-22-14-8-13(4-7-21-14)16(17,18)19/h2-8,10H,9H2,1H3,(H,21,22)
InChIKeyPGMMNJKIAVNRPI-UHFFFAOYSA-N
XLogP3.51
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine (CID 99835543) is N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine is Cn1cc(CNc2cc(C(F)(F)F)ccn2)c(-c2ccncc2)n1.
What is the InChIKey of N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PGMMNJKIAVNRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5/c1-24-10-12(15(23-24)11-2-5-20-6-3-11)9-22-14-8-13(4-7-21-14)16(17,18)19/h2-8,10H,9H2,1H3,(H,21,22).
What are the key properties of N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 333.32 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 99835543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).