(1S)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine

C17H19FN4O2 — CID 25279564

IUPAC(1S)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
SMILESCOc1ccc(-c2[nH]ncc2CN(C)[C@@H](C)c2ccon2)cc1F
InChIInChI=1S/C17H19FN4O2/c1-11(15-6-7-24-21-15)22(2)10-13-9-19-20-17(13)12-4-5-16(23-3)14(18)8-12/h4-9,11H,10H2,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeySPICNZYCKIBXCE-NSHDSACASA-N
MW330.36 g/mol
LogP3.41
Rot. Bonds6

About (1S)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine

(1S)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine (PubChem CID 25279564) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is (1S)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
PubChem CID25279564
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name(1S)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
SMILESCOc1ccc(-c2[nH]ncc2CN(C)[C@@H](C)c2ccon2)cc1F
InChIInChI=1S/C17H19FN4O2/c1-11(15-6-7-24-21-15)22(2)10-13-9-19-20-17(13)12-4-5-16(23-3)14(18)8-12/h4-9,11H,10H2,1-3H3,(H,19,20)/t11-/m0/s1
InChIKeySPICNZYCKIBXCE-NSHDSACASA-N
XLogP3.41
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(1R)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 95897705
1-(1,3-dimethylpyrazol-4-yl)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylmethanamine
CID 42527594
(1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 95874612
7-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 56720422
(1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 29210748
(1R)-N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
CID 95868101
N-methyl-N-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-1-pyrimidin-4-ylethanamine
CID 70729446
N-methyl-N-[[5-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 157186184
(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 99958125
N-[[5-[3,5-dimethoxy-4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine
CID 158486957
N-[[5-(3-fluoro-4-methylsulfanylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79485264
1-(5-chloro-2-pyridinyl)-4-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 56713825

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The IUPAC name of (1S)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine (CID 25279564) is (1S)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine.
What is the SMILES notation for (1S)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The canonical SMILES for (1S)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine is COc1ccc(-c2[nH]ncc2CN(C)[C@@H](C)c2ccon2)cc1F.
What is the InChIKey of (1S)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
The InChIKey is SPICNZYCKIBXCE-NSHDSACASA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-11(15-6-7-24-21-15)22(2)10-13-9-19-20-17(13)12-4-5-16(23-3)14(18)8-12/h4-9,11H,10H2,1-3H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (1S)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine?
(1S)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine has a molecular weight of 330.36 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine is sourced from PubChem (CID 25279564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).