[4-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylphenyl]methanamine

C16H23N3 — CID 114479159

IUPAC[4-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylphenyl]methanamine
SMILESCCc1cc(CC)n(Cc2ccc(CN)cc2C)n1
InChIInChI=1S/C16H23N3/c1-4-15-9-16(5-2)19(18-15)11-14-7-6-13(10-17)8-12(14)3/h6-9H,4-5,10-11,17H2,1-3H3
InChIKeyJZGXMRDJVQVZJT-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.82
Rot. Bonds5

About [4-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylphenyl]methanamine

[4-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylphenyl]methanamine (PubChem CID 114479159) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is [4-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylphenyl]methanamine
PubChem CID114479159
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name[4-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylphenyl]methanamine
SMILESCCc1cc(CC)n(Cc2ccc(CN)cc2C)n1
InChIInChI=1S/C16H23N3/c1-4-15-9-16(5-2)19(18-15)11-14-7-6-13(10-17)8-12(14)3/h6-9H,4-5,10-11,17H2,1-3H3
InChIKeyJZGXMRDJVQVZJT-UHFFFAOYSA-N
XLogP2.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine
CID 82691975
4-[(3,5-diethylpyrazol-1-yl)methyl]aniline
CID 82692087
4-[(3,5-diethylpyrazol-1-yl)methyl]-3-fluoroaniline
CID 82692094
[4-[(3,5-diethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
CID 82695382
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
2-[4-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]acetic acid
CID 105345519
2-[(3,5-diethylpyrazol-1-yl)methyl]-5-fluorobenzenecarbothioamide
CID 82692392
[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 114478531
2-[(3,5-diethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 82695186
[4-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine
CID 82696076
4-[(3,5-diethylpyrazol-1-yl)methyl]-3-fluorobenzonitrile
CID 82693497
[4-(aminomethyl)-2-methylphenyl]methanethiol
CID 145486508

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylphenyl]methanamine?
The IUPAC name of [4-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylphenyl]methanamine (CID 114479159) is [4-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylphenyl]methanamine.
What is the SMILES notation for [4-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylphenyl]methanamine?
The canonical SMILES for [4-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylphenyl]methanamine is CCc1cc(CC)n(Cc2ccc(CN)cc2C)n1.
What is the InChIKey of [4-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylphenyl]methanamine?
The InChIKey is JZGXMRDJVQVZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-15-9-16(5-2)19(18-15)11-14-7-6-13(10-17)8-12(14)3/h6-9H,4-5,10-11,17H2,1-3H3.
What are the key properties of [4-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylphenyl]methanamine?
[4-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylphenyl]methanamine has a molecular weight of 257.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylphenyl]methanamine is sourced from PubChem (CID 114479159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).