N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]oxan-4-amine

C16H18F3N3O — CID 154833594

IUPACN-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]oxan-4-amine
SMILESFC(F)(F)c1ccn(-c2ccc(CNC3CCOCC3)cc2)n1
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)15-5-8-22(21-15)14-3-1-12(2-4-14)11-20-13-6-9-23-10-7-13/h1-5,8,13,20H,6-7,9-11H2
InChIKeyLMTPOTIKYPKSKC-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.16
Rot. Bonds4

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

N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]oxan-4-amine (PubChem CID 154833594) has the molecular formula C16H18F3N3O and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]oxan-4-amine
PubChem CID154833594
Molecular FormulaC16H18F3N3O
Molecular Weight325.33 g/mol
Exact Mass325.14
IUPAC NameN-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]oxan-4-amine
SMILESFC(F)(F)c1ccn(-c2ccc(CNC3CCOCC3)cc2)n1
InChIInChI=1S/C16H18F3N3O/c17-16(18,19)15-5-8-22(21-15)14-3-1-12(2-4-14)11-20-13-6-9-23-10-7-13/h1-5,8,13,20H,6-7,9-11H2
InChIKeyLMTPOTIKYPKSKC-UHFFFAOYSA-N
XLogP3.16
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-4-yl)-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]oxan-4-amine
CID 166384433
N-(oxan-4-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 71937523
2-cyclopropyl-2-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-1-ol
CID 111977142
2-[oxan-4-yl-[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]amino]acetic acid
CID 126792181
N-[[4-(diethylaminomethyl)phenyl]methyl]oxan-4-amine
CID 43608548
N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine
CID 114854449
N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
CID 66449573
2-pyrrolidin-2-yl-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]acetamide;hydrochloride
CID 119746107
1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]pentan-2-ol
CID 111118842
4-[(oxan-4-ylamino)methyl]benzoic acid
CID 55049124
1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 66015733
3-hydroxy-N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]thiolane-3-carboxamide
CID 102553752

Frequently Asked Questions

What is the IUPAC name of N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]oxan-4-amine?
The IUPAC name of N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]oxan-4-amine (CID 154833594) is N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]oxan-4-amine?
The canonical SMILES for N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]oxan-4-amine is FC(F)(F)c1ccn(-c2ccc(CNC3CCOCC3)cc2)n1.
What is the InChIKey of N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]oxan-4-amine?
The InChIKey is LMTPOTIKYPKSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O/c17-16(18,19)15-5-8-22(21-15)14-3-1-12(2-4-14)11-20-13-6-9-23-10-7-13/h1-5,8,13,20H,6-7,9-11H2.
What are the key properties of N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]oxan-4-amine?
N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]oxan-4-amine has a molecular weight of 325.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]oxan-4-amine is sourced from PubChem (CID 154833594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).