4-methyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-3-amine

C17H15F3N4 — CID 91293685

IUPAC4-methyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
SMILESCc1ccncc1NC(c1cn[nH]c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N4/c1-11-6-7-21-10-15(11)24-16(12-8-22-23-9-12)13-4-2-3-5-14(13)17(18,19)20/h2-10,16,24H,1H3,(H,22,23)
InChIKeySTCFQKMPNBSKNX-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.33
Rot. Bonds4

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

4-methyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-3-amine (PubChem CID 91293685) has the molecular formula C17H15F3N4 and a molecular weight of 332.33 g/mol. Its IUPAC name is 4-methyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-3-amine.

Molecular Properties

Compound Name4-methyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
PubChem CID91293685
Molecular FormulaC17H15F3N4
Molecular Weight332.33 g/mol
Exact Mass332.12
IUPAC Name4-methyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
SMILESCc1ccncc1NC(c1cn[nH]c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N4/c1-11-6-7-21-10-15(11)24-16(12-8-22-23-9-12)13-4-2-3-5-14(13)17(18,19)20/h2-10,16,24H,1H3,(H,22,23)
InChIKeySTCFQKMPNBSKNX-UHFFFAOYSA-N
XLogP4.33
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-3-amine?
The IUPAC name of 4-methyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-3-amine (CID 91293685) is 4-methyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-3-amine.
What is the SMILES notation for 4-methyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-3-amine?
The canonical SMILES for 4-methyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-3-amine is Cc1ccncc1NC(c1cn[nH]c1)c1ccccc1C(F)(F)F.
What is the InChIKey of 4-methyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-3-amine?
The InChIKey is STCFQKMPNBSKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4/c1-11-6-7-21-10-15(11)24-16(12-8-22-23-9-12)13-4-2-3-5-14(13)17(18,19)20/h2-10,16,24H,1H3,(H,22,23).
What are the key properties of 4-methyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-3-amine?
4-methyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-3-amine has a molecular weight of 332.33 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1H-pyrazol-4-yl-[2-(trifluoromethyl)phenyl]methyl]pyridin-3-amine is sourced from PubChem (CID 91293685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).