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

C15H21N3O — CID 79484999

IUPACN-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
SMILESCCOc1cccc(-c2[nH]ncc2CNC(C)C)c1
InChIInChI=1S/C15H21N3O/c1-4-19-14-7-5-6-12(8-14)15-13(10-17-18-15)9-16-11(2)3/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18)
InChIKeyYTFVFGWKCXOZHB-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.97
Rot. Bonds6

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

N-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 79484999) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
PubChem CID79484999
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
SMILESCCOc1cccc(-c2[nH]ncc2CNC(C)C)c1
InChIInChI=1S/C15H21N3O/c1-4-19-14-7-5-6-12(8-14)15-13(10-17-18-15)9-16-11(2)3/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18)
InChIKeyYTFVFGWKCXOZHB-UHFFFAOYSA-N
XLogP2.97
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]-N-methylmethanamine
CID 79484904
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79484672
N-[[5-(4-iodophenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 114083286
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 47271559
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 43756378
(2S,3R)-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95277535
N-[[5-(4-methyl-3-nitrophenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79485569
ethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate
CID 61498623
4-(3-ethoxyphenyl)-1H-pyridazin-6-one
CID 106519861
(1R)-1-pyridin-3-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81392078
2-ethoxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115655743
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 79487408

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine (CID 79484999) is N-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine is CCOc1cccc(-c2[nH]ncc2CNC(C)C)c1.
What is the InChIKey of N-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is YTFVFGWKCXOZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-19-14-7-5-6-12(8-14)15-13(10-17-18-15)9-16-11(2)3/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18).
What are the key properties of N-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
N-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 79484999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).