N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine

C11H15N3S — CID 19626535

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCc1c(CNCc2ccsc2)cnn1C
InChIInChI=1S/C11H15N3S/c1-9-11(7-13-14(9)2)6-12-5-10-3-4-15-8-10/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyCIXTZXHZFGPJNF-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.08
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 19626535) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID19626535
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCc1c(CNCc2ccsc2)cnn1C
InChIInChI=1S/C11H15N3S/c1-9-11(7-13-14(9)2)6-12-5-10-3-4-15-8-10/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyCIXTZXHZFGPJNF-UHFFFAOYSA-N
XLogP2.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103851453
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylethanamine
CID 79579433
1-(4-cyclopropylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103528046
tert-butyl N-[1-methyl-4-[(thiophen-3-ylmethylamino)methyl]pyrazol-5-yl]carbamate
CID 107256290
4-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624595
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 113338388
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1-ethylpyrazol-4-yl)methanamine
CID 19625453
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)methanamine;hydrochloride
CID 126964694
1-thiophen-3-yl-N-[(2,4,5-trimethylphenyl)methyl]methanamine
CID 63001646
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
1-(2,3-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103859223
ethyl 1-methyl-5-[(thiophen-3-ylmethylamino)methyl]pyrazole-4-carboxylate
CID 116631165

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine (CID 19626535) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine is Cc1c(CNCc2ccsc2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is CIXTZXHZFGPJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-9-11(7-13-14(9)2)6-12-5-10-3-4-15-8-10/h3-4,7-8,12H,5-6H2,1-2H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 221.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 19626535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).