1,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine

C11H15N3S — CID 19626771

IUPAC1,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine
SMILESCc1ccsc1CNc1cnn(C)c1C
InChIInChI=1S/C11H15N3S/c1-8-4-5-15-11(8)7-12-10-6-13-14(3)9(10)2/h4-6,12H,7H2,1-3H3
InChIKeyLBMZBJFMYVBUAR-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.71
Rot. Bonds3

About 1,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine

1,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine (PubChem CID 19626771) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine
PubChem CID19626771
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine
SMILESCc1ccsc1CNc1cnn(C)c1C
InChIInChI=1S/C11H15N3S/c1-8-4-5-15-11(8)7-12-10-6-13-14(3)9(10)2/h4-6,12H,7H2,1-3H3
InChIKeyLBMZBJFMYVBUAR-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(3-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 104777162
5-fluoro-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 115750019
[3-[(3-methylthiophen-2-yl)methylamino]-4-pyridinyl]methanol
CID 115749542
5-[[(1,5-dimethylpyrazol-4-yl)amino]methyl]thiophene-2-carbonitrile
CID 115899681
5-methyl-N-[(3-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 112730229
2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 115749452
8-N-[(3-methylthiophen-2-yl)methyl]isoquinoline-5,8-diamine
CID 103138732
N-[(3-methylthiophen-2-yl)methyl]-1H-indazol-4-amine
CID 54865666
N-[(3-chlorophenyl)methyl]-1,5-dimethylpyrazol-4-amine
CID 115899747
2,3-dichloro-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 29033859
1,5-dimethyl-N-(1,3-oxazol-4-ylmethyl)pyrazol-4-amine
CID 130690140
2,3,5-trifluoro-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 55119114

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine (CID 19626771) is 1,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine is Cc1ccsc1CNc1cnn(C)c1C.
What is the InChIKey of 1,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine?
The InChIKey is LBMZBJFMYVBUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-8-4-5-15-11(8)7-12-10-6-13-14(3)9(10)2/h4-6,12H,7H2,1-3H3.
What are the key properties of 1,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine?
1,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine has a molecular weight of 221.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 19626771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).