(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine

C13H19N3S — CID 95291194

IUPAC(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
SMILESCc1cnn([C@H](C)[C@@H](C)NCc2ccsc2)c1
InChIInChI=1S/C13H19N3S/c1-10-6-15-16(8-10)12(3)11(2)14-7-13-4-5-17-9-13/h4-6,8-9,11-12,14H,7H2,1-3H3/t11-,12-/m1/s1
InChIKeyAZPUCFRNCFLPBT-VXGBXAGGSA-N
MW249.38 g/mol
LogP2.99
Rot. Bonds5

About (2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine

(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine (PubChem CID 95291194) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is (2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
PubChem CID95291194
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine
SMILESCc1cnn([C@H](C)[C@@H](C)NCc2ccsc2)c1
InChIInChI=1S/C13H19N3S/c1-10-6-15-16(8-10)12(3)11(2)14-7-13-4-5-17-9-13/h4-6,8-9,11-12,14H,7H2,1-3H3/t11-,12-/m1/s1
InChIKeyAZPUCFRNCFLPBT-VXGBXAGGSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine
CID 95613951
(2S,3S)-3-(4-methylpyrazol-1-yl)-N-[(2-phenylpyrimidin-5-yl)methyl]butan-2-amine
CID 95613953
(2S,3R)-3-(4-methylpyrazol-1-yl)-N-(1,3-thiazol-4-ylmethyl)butan-2-amine
CID 95304965
4-[[[(2S,3R)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzamide
CID 95287606
(2R,3R)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95293122
6-methyl-2-[[[(2R,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]pyridin-3-ol
CID 95298588
2-[[[(2S,3S)-3-(4-methylpyrazol-1-yl)butan-2-yl]amino]methyl]benzonitrile
CID 95613985
(2R,3R)-N-(1,3-benzothiazol-2-ylmethyl)-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95759659
(2R,3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95291818
(2R,3S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95291817
(2S,3R)-3-(4-methylpyrazol-1-yl)-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]butan-2-amine
CID 95311175
(2S,3R)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(4-methylpyrazol-1-yl)butan-2-amine
CID 95287674

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine?
The IUPAC name of (2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine (CID 95291194) is (2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine.
What is the SMILES notation for (2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine?
The canonical SMILES for (2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine is Cc1cnn([C@H](C)[C@@H](C)NCc2ccsc2)c1.
What is the InChIKey of (2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine?
The InChIKey is AZPUCFRNCFLPBT-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H19N3S/c1-10-6-15-16(8-10)12(3)11(2)14-7-13-4-5-17-9-13/h4-6,8-9,11-12,14H,7H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine?
(2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine has a molecular weight of 249.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-methylpyrazol-1-yl)-N-(thiophen-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 95291194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).