N-[[5-(3,5-difluorophenyl)-4-(methoxymethyl)-1-methylpyrazol-3-yl]methyl]oxan-4-amine

C18H23F2N3O2 — CID 68683812

IUPACN-[[5-(3,5-difluorophenyl)-4-(methoxymethyl)-1-methylpyrazol-3-yl]methyl]oxan-4-amine
SMILESCOCc1c(CNC2CCOCC2)nn(C)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C18H23F2N3O2/c1-23-18(12-7-13(19)9-14(20)8-12)16(11-24-2)17(22-23)10-21-15-3-5-25-6-4-15/h7-9,15,21H,3-6,10-11H2,1-2H3
InChIKeyTVYBCVLDSHSQPF-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.78
Rot. Bonds6

About N-[[5-(3,5-difluorophenyl)-4-(methoxymethyl)-1-methylpyrazol-3-yl]methyl]oxan-4-amine

N-[[5-(3,5-difluorophenyl)-4-(methoxymethyl)-1-methylpyrazol-3-yl]methyl]oxan-4-amine (PubChem CID 68683812) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-[[5-(3,5-difluorophenyl)-4-(methoxymethyl)-1-methylpyrazol-3-yl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[[5-(3,5-difluorophenyl)-4-(methoxymethyl)-1-methylpyrazol-3-yl]methyl]oxan-4-amine
PubChem CID68683812
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC NameN-[[5-(3,5-difluorophenyl)-4-(methoxymethyl)-1-methylpyrazol-3-yl]methyl]oxan-4-amine
SMILESCOCc1c(CNC2CCOCC2)nn(C)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C18H23F2N3O2/c1-23-18(12-7-13(19)9-14(20)8-12)16(11-24-2)17(22-23)10-21-15-3-5-25-6-4-15/h7-9,15,21H,3-6,10-11H2,1-2H3
InChIKeyTVYBCVLDSHSQPF-UHFFFAOYSA-N
XLogP2.78
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,3R)-N-((5-(3,5-difluorophenyl)-4-(methoxymethyl)-1-methyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45273546
US11312688, Example 351
CID 66665537
N-[(2S*,4R*,6S*)-2-benzyl-6-(1-tert-butyl-3,5-dimethyl-1H-pyrazol-4-yl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50958700
N-[(2S*,4R*,6S*)-2-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(2-phenylethyl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50980452
1-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[4-(3-fluorophenyl)tetrahydro-2H-pyran-4-yl]methyl}propan-2-amine
CID 56718166
1-[(1-Ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-[(4-fluorophenyl)methoxy]piperidine
CID 75518409
1-[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 125419518
3-[1-(3,5-Difluorobenzyl)-2-pyrrolidinyl]-1-methyl-1,4,6,7-tetrahydropyrano[4,3-C]pyrazole
CID 132335665
3-[(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 164639037
cis-(1S,3R)-N-[[3-(3,5-difluorophenyl)-4-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-3-fluorocyclopentan-1-amine
CID 16109658
5-(3,5-difluorophenyl)-N-[(1S,3R)-3-fluorocyclopentyl]-4-(methoxymethyl)-1-methylpyrazol-3-amine
CID 16113659
5-(3,5-difluorophenyl)-N-[(1S,2R)-2-fluorocyclopentyl]-4-(methoxymethyl)-1-methylpyrazol-3-amine
CID 16113660

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-difluorophenyl)-4-(methoxymethyl)-1-methylpyrazol-3-yl]methyl]oxan-4-amine?
The IUPAC name of N-[[5-(3,5-difluorophenyl)-4-(methoxymethyl)-1-methylpyrazol-3-yl]methyl]oxan-4-amine (CID 68683812) is N-[[5-(3,5-difluorophenyl)-4-(methoxymethyl)-1-methylpyrazol-3-yl]methyl]oxan-4-amine.
What is the SMILES notation for N-[[5-(3,5-difluorophenyl)-4-(methoxymethyl)-1-methylpyrazol-3-yl]methyl]oxan-4-amine?
The canonical SMILES for N-[[5-(3,5-difluorophenyl)-4-(methoxymethyl)-1-methylpyrazol-3-yl]methyl]oxan-4-amine is COCc1c(CNC2CCOCC2)nn(C)c1-c1cc(F)cc(F)c1.
What is the InChIKey of N-[[5-(3,5-difluorophenyl)-4-(methoxymethyl)-1-methylpyrazol-3-yl]methyl]oxan-4-amine?
The InChIKey is TVYBCVLDSHSQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c1-23-18(12-7-13(19)9-14(20)8-12)16(11-24-2)17(22-23)10-21-15-3-5-25-6-4-15/h7-9,15,21H,3-6,10-11H2,1-2H3.
What are the key properties of N-[[5-(3,5-difluorophenyl)-4-(methoxymethyl)-1-methylpyrazol-3-yl]methyl]oxan-4-amine?
N-[[5-(3,5-difluorophenyl)-4-(methoxymethyl)-1-methylpyrazol-3-yl]methyl]oxan-4-amine has a molecular weight of 351.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-difluorophenyl)-4-(methoxymethyl)-1-methylpyrazol-3-yl]methyl]oxan-4-amine is sourced from PubChem (CID 68683812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).