[4-[(3,5-diethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine

C14H21N3S — CID 82695382

IUPAC[4-[(3,5-diethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
SMILESCCc1cc(CC)n(Cc2cc(CN)sc2C)n1
InChIInChI=1S/C14H21N3S/c1-4-12-7-13(5-2)17(16-12)9-11-6-14(8-15)18-10(11)3/h6-7H,4-5,8-9,15H2,1-3H3
InChIKeyWCMZDJJPNCBVCP-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.88
Rot. Bonds5

About [4-[(3,5-diethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine

[4-[(3,5-diethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine (PubChem CID 82695382) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is [4-[(3,5-diethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(3,5-diethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
PubChem CID82695382
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name[4-[(3,5-diethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
SMILESCCc1cc(CC)n(Cc2cc(CN)sc2C)n1
InChIInChI=1S/C14H21N3S/c1-4-12-7-13(5-2)17(16-12)9-11-6-14(8-15)18-10(11)3/h6-7H,4-5,8-9,15H2,1-3H3
InChIKeyWCMZDJJPNCBVCP-UHFFFAOYSA-N
XLogP2.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3,5-diethylpyrazol-1-yl)methyl]-3-methylphenyl]methanamine
CID 114479159
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
[5-methyl-4-(1,2,4-triazol-1-ylmethyl)thiophen-2-yl]methanamine
CID 80729759
2-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole
CID 82699096
[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
CID 80728920
[3-[(3,5-diethylpyrazol-1-yl)methyl]phenyl]methanamine
CID 82691975
4-[(3,5-diethylpyrazol-1-yl)methyl]-3-fluoroaniline
CID 82692094
4-[(3,5-diethylpyrazol-1-yl)methyl]aniline
CID 82692087
[3-[(3,5-diethylpyrazol-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 82699302
4-[(3,5-diethylpyrazol-1-yl)methyl]-1,3-thiazole
CID 82700131
3,5-diethyl-1-propylpyrazole
CID 82699697
[5-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]thiophen-2-yl]methanamine
CID 80729487

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-diethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine?
The IUPAC name of [4-[(3,5-diethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine (CID 82695382) is [4-[(3,5-diethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine.
What is the SMILES notation for [4-[(3,5-diethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine?
The canonical SMILES for [4-[(3,5-diethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine is CCc1cc(CC)n(Cc2cc(CN)sc2C)n1.
What is the InChIKey of [4-[(3,5-diethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine?
The InChIKey is WCMZDJJPNCBVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-12-7-13(5-2)17(16-12)9-11-6-14(8-15)18-10(11)3/h6-7H,4-5,8-9,15H2,1-3H3.
What are the key properties of [4-[(3,5-diethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine?
[4-[(3,5-diethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine has a molecular weight of 263.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-diethylpyrazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine is sourced from PubChem (CID 82695382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).