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

C14H19N3O — CID 47271559

IUPACN-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn[nH]c1-c1cccc(OC)c1
InChIInChI=1S/C14H19N3O/c1-3-7-15-9-12-10-16-17-14(12)11-5-4-6-13(8-11)18-2/h4-6,8,10,15H,3,7,9H2,1-2H3,(H,16,17)
InChIKeyXPKAMYKQFSFCTG-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.58
Rot. Bonds6

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

N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 47271559) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
PubChem CID47271559
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn[nH]c1-c1cccc(OC)c1
InChIInChI=1S/C14H19N3O/c1-3-7-15-9-12-10-16-17-14(12)11-5-4-6-13(8-11)18-2/h4-6,8,10,15H,3,7,9H2,1-2H3,(H,16,17)
InChIKeyXPKAMYKQFSFCTG-UHFFFAOYSA-N
XLogP2.58
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79485640
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 79487408
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 52910245
1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine
CID 79484904
N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79485564
N-[[5-(3-chlorophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79484935
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 4538755
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-5-(1-phenylpropyl)-1,3,4-thiadiazol-2-amine
CID 167920161
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 167956831
2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 17450711
N-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79484999
(2S,3R)-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95277535

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (CID 47271559) is N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is CCCNCc1cn[nH]c1-c1cccc(OC)c1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is XPKAMYKQFSFCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-7-15-9-12-10-16-17-14(12)11-5-4-6-13(8-11)18-2/h4-6,8,10,15H,3,7,9H2,1-2H3,(H,16,17).
What are the key properties of N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 47271559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).