N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine

C14H19N3O — CID 165487946

IUPACN-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
SMILESCOc1ccc(-c2cc(CNC(C)C)[nH]n2)cc1
InChIInChI=1S/C14H19N3O/c1-10(2)15-9-12-8-14(17-16-12)11-4-6-13(18-3)7-5-11/h4-8,10,15H,9H2,1-3H3,(H,16,17)
InChIKeySXJFDOJZIXQYHT-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.58
Rot. Bonds5

About N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine

N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine (PubChem CID 165487946) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
PubChem CID165487946
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
SMILESCOc1ccc(-c2cc(CNC(C)C)[nH]n2)cc1
InChIInChI=1S/C14H19N3O/c1-10(2)15-9-12-8-14(17-16-12)11-4-6-13(18-3)7-5-11/h4-8,10,15H,9H2,1-3H3,(H,16,17)
InChIKeySXJFDOJZIXQYHT-UHFFFAOYSA-N
XLogP2.58
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-5-[(propan-2-ylamino)methyl]-1H-pyridazin-6-one
CID 82446062
N-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62113166
N-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62113323
5-(chloromethyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 75528285
N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62111524
N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62111696
5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine
CID 117215911
5-[(2-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole
CID 102325228
3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]butan-2-ol
CID 14568875
1-(1,5-dimethylpyrazol-4-yl)-N-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 19627759
5-methyl-3-(4-propan-2-yloxyphenyl)-1H-pyrazole
CID 116856590
1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine
CID 54847503

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine (CID 165487946) is N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine is COc1ccc(-c2cc(CNC(C)C)[nH]n2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine?
The InChIKey is SXJFDOJZIXQYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)15-9-12-8-14(17-16-12)11-4-6-13(18-3)7-5-11/h4-8,10,15H,9H2,1-3H3,(H,16,17).
What are the key properties of N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine?
N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 165487946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).