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

C14H19N3O — CID 79485564

IUPACN-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn[nH]c1-c1ccccc1OC
InChIInChI=1S/C14H19N3O/c1-3-8-15-9-11-10-16-17-14(11)12-6-4-5-7-13(12)18-2/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyVFRQXNPFQWSABO-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.58
Rot. Bonds6

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

N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 79485564) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
PubChem CID79485564
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn[nH]c1-c1ccccc1OC
InChIInChI=1S/C14H19N3O/c1-3-8-15-9-11-10-16-17-14(11)12-6-4-5-7-13(12)18-2/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyVFRQXNPFQWSABO-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
1-(furan-2-yl)-N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 126456916
N-[[5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79485484
N-[[5-(2-nitrophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79484990
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 47271559
N-[[5-(2-iodophenyl)-1H-pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 79485192
5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 4067971
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 4538755
N'-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303839
2-methoxy-N-[[5-(2-nitrophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 79484853
N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911552
N-[[5-(5-methylthiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79484745

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (CID 79485564) is N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is CCCNCc1cn[nH]c1-c1ccccc1OC.
What is the InChIKey of N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is VFRQXNPFQWSABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-8-15-9-11-10-16-17-14(11)12-6-4-5-7-13(12)18-2/h4-7,10,15H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
N-[[5-(2-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-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 79485564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).