(1S)-1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine

C16H23N3O — CID 164637322

IUPAC(1S)-1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine
SMILESCC[C@@H](c1cccc(OC)c1)N(C)Cc1[nH]ncc1C
InChIInChI=1S/C16H23N3O/c1-5-16(13-7-6-8-14(9-13)20-4)19(3)11-15-12(2)10-17-18-15/h6-10,16H,5,11H2,1-4H3,(H,17,18)/t16-/m0/s1
InChIKeyABTRSHCLWCOARR-INIZCTEOSA-N
MW273.38 g/mol
LogP3.31
Rot. Bonds6

About (1S)-1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine

(1S)-1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine (PubChem CID 164637322) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (1S)-1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine
PubChem CID164637322
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(1S)-1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine
SMILESCC[C@@H](c1cccc(OC)c1)N(C)Cc1[nH]ncc1C
InChIInChI=1S/C16H23N3O/c1-5-16(13-7-6-8-14(9-13)20-4)19(3)11-15-12(2)10-17-18-15/h6-10,16H,5,11H2,1-4H3,(H,17,18)/t16-/m0/s1
InChIKeyABTRSHCLWCOARR-INIZCTEOSA-N
XLogP3.31
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-3-methyl-1H-pyrazole
CID 2805464
3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
3-(3-Methoxyphenyl)-1H-Pyrazole
CID 2736766
5-(4-Butoxy-phenyl)-1H-pyrazole
CID 10198293
5-(4-Butoxy-phenyl)-4-methyl-1H-pyrazole
CID 11322177
(2-Aminoethyl)(methyl) ({3-[4-(propan-2-yloxy)phenyl]-1h-pyrazol-4-yl}methyl)amine
CID 86303066
1-[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209864
1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209918
1-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209971
N,N'-dimethyl-N'-[[5-[3-(2-phenylethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117615952
N'-[[5-[3-(2-cyclohexylethoxy)-5-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 117615953
N,N'-dimethyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117666015

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine?
The IUPAC name of (1S)-1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine (CID 164637322) is (1S)-1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for (1S)-1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for (1S)-1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine is CC[C@@H](c1cccc(OC)c1)N(C)Cc1[nH]ncc1C.
What is the InChIKey of (1S)-1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine?
The InChIKey is ABTRSHCLWCOARR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-16(13-7-6-8-14(9-13)20-4)19(3)11-15-12(2)10-17-18-15/h6-10,16H,5,11H2,1-4H3,(H,17,18)/t16-/m0/s1.
What are the key properties of (1S)-1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine?
(1S)-1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methoxyphenyl)-N-methyl-N-[(4-methyl-1H-pyrazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 164637322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).