N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine

C11H15N3S — CID 43644955

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1n[nH]c(C)c1CNCc1cccs1
InChIInChI=1S/C11H15N3S/c1-8-11(9(2)14-13-8)7-12-6-10-4-3-5-15-10/h3-5,12H,6-7H2,1-2H3,(H,13,14)
InChIKeyJSZKANHEOSFRQQ-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.38
Rot. Bonds4

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 43644955) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID43644955
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCc1n[nH]c(C)c1CNCc1cccs1
InChIInChI=1S/C11H15N3S/c1-8-11(9(2)14-13-8)7-12-6-10-4-3-5-15-10/h3-5,12H,6-7H2,1-2H3,(H,13,14)
InChIKeyJSZKANHEOSFRQQ-UHFFFAOYSA-N
XLogP2.38
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 64681351
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 12978503
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 60972826
N-[(4-methylthiadiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 65199569
1-(2-methyl-3-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 78928667
2-[3,5-dimethyl-4-[(thiophen-2-ylmethylamino)methyl]pyrazol-1-yl]ethanol
CID 110905525
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine;hydrochloride
CID 126967664
1-(2-methyl-4-pyridinyl)-N-(thiophen-2-ylmethyl)methanamine
CID 106752851
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 115655838
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43644728
N-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 4719998
1-thiophen-2-yl-N-[(2,4,6-trimethoxyphenyl)methyl]methanamine
CID 43090897

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine (CID 43644955) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine is Cc1n[nH]c(C)c1CNCc1cccs1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is JSZKANHEOSFRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-8-11(9(2)14-13-8)7-12-6-10-4-3-5-15-10/h3-5,12H,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 221.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 43644955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).