[4-[(4-ethoxypyrazol-1-yl)methyl]-3-methylphenyl]methanamine

C14H19N3O — CID 114273801

IUPAC[4-[(4-ethoxypyrazol-1-yl)methyl]-3-methylphenyl]methanamine
SMILESCCOc1cnn(Cc2ccc(CN)cc2C)c1
InChIInChI=1S/C14H19N3O/c1-3-18-14-8-16-17(10-14)9-13-5-4-12(7-15)6-11(13)2/h4-6,8,10H,3,7,9,15H2,1-2H3
InChIKeyCHGZDIWHCHVKSS-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.10
Rot. Bonds5

About [4-[(4-ethoxypyrazol-1-yl)methyl]-3-methylphenyl]methanamine

[4-[(4-ethoxypyrazol-1-yl)methyl]-3-methylphenyl]methanamine (PubChem CID 114273801) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [4-[(4-ethoxypyrazol-1-yl)methyl]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-[(4-ethoxypyrazol-1-yl)methyl]-3-methylphenyl]methanamine
PubChem CID114273801
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[4-[(4-ethoxypyrazol-1-yl)methyl]-3-methylphenyl]methanamine
SMILESCCOc1cnn(Cc2ccc(CN)cc2C)c1
InChIInChI=1S/C14H19N3O/c1-3-18-14-8-16-17(10-14)9-13-5-4-12(7-15)6-11(13)2/h4-6,8,10H,3,7,9,15H2,1-2H3
InChIKeyCHGZDIWHCHVKSS-UHFFFAOYSA-N
XLogP2.10
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethoxypyrazol-1-yl)methyl]-3-methylbenzoic acid
CID 114274380
[3-bromo-4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methanamine
CID 102774129
[3-chloro-4-[(1-ethylpyrazol-4-yl)oxymethyl]phenyl]methanamine
CID 102663627
1-[(4-ethoxyphenyl)methyl]pyrazol-4-amine
CID 82285149
5-[(4-ethoxypyrazol-1-yl)methyl]furan-2-carbohydrazide
CID 114273838
3-bromo-4-[(4-propoxypyrazol-1-yl)methyl]aniline
CID 114273765
[4-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylphenyl]methanamine
CID 114479159
3-[(4-ethoxypyrazol-1-yl)methyl]benzenecarboximidamide
CID 114274034
[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 114478531
[3-chloro-4-[(4-iodopyrazol-1-yl)methyl]phenyl]methanamine
CID 102663301
3-[5-[(4-ethoxypyrazol-1-yl)methyl]thiophen-3-yl]prop-2-yn-1-amine
CID 114274270
N-[[4-(aminomethyl)-2-methylphenyl]methyl]-1-methylimidazole-4-carboxamide
CID 118907265

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethoxypyrazol-1-yl)methyl]-3-methylphenyl]methanamine?
The IUPAC name of [4-[(4-ethoxypyrazol-1-yl)methyl]-3-methylphenyl]methanamine (CID 114273801) is [4-[(4-ethoxypyrazol-1-yl)methyl]-3-methylphenyl]methanamine.
What is the SMILES notation for [4-[(4-ethoxypyrazol-1-yl)methyl]-3-methylphenyl]methanamine?
The canonical SMILES for [4-[(4-ethoxypyrazol-1-yl)methyl]-3-methylphenyl]methanamine is CCOc1cnn(Cc2ccc(CN)cc2C)c1.
What is the InChIKey of [4-[(4-ethoxypyrazol-1-yl)methyl]-3-methylphenyl]methanamine?
The InChIKey is CHGZDIWHCHVKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-18-14-8-16-17(10-14)9-13-5-4-12(7-15)6-11(13)2/h4-6,8,10H,3,7,9,15H2,1-2H3.
What are the key properties of [4-[(4-ethoxypyrazol-1-yl)methyl]-3-methylphenyl]methanamine?
[4-[(4-ethoxypyrazol-1-yl)methyl]-3-methylphenyl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethoxypyrazol-1-yl)methyl]-3-methylphenyl]methanamine is sourced from PubChem (CID 114273801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).