(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine

C11H15N3S — CID 81399075

IUPAC(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
SMILESC[C@@H](NCc1ccnn1C)c1cccs1
InChIInChI=1S/C11H15N3S/c1-9(11-4-3-7-15-11)12-8-10-5-6-13-14(10)2/h3-7,9,12H,8H2,1-2H3/t9-/m1/s1
InChIKeyYHZSQCPOMMJIHY-SECBINFHSA-N
MW221.33 g/mol
LogP2.33
Rot. Bonds4

About (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine

(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 81399075) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID81399075
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
SMILESC[C@@H](NCc1ccnn1C)c1cccs1
InChIInChI=1S/C11H15N3S/c1-9(11-4-3-7-15-11)12-8-10-5-6-13-14(10)2/h3-7,9,12H,8H2,1-2H3/t9-/m1/s1
InChIKeyYHZSQCPOMMJIHY-SECBINFHSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[(2-ethylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 104939449
1-[(2-methylpyrazol-3-yl)methyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 36974759
(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81408199
2-[(2-methylpyrazol-3-yl)methylamino]-1-thiophen-2-ylethanol
CID 63302557
(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398244
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 19626588
1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 60927610
(1S)-N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylethanamine
CID 79479907
1-(3,5-dimethylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 79479697
N-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine
CID 103605426
1-(3-bromophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43673323

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine (CID 81399075) is (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine is C[C@@H](NCc1ccnn1C)c1cccs1.
What is the InChIKey of (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is YHZSQCPOMMJIHY-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N3S/c1-9(11-4-3-7-15-11)12-8-10-5-6-13-14(10)2/h3-7,9,12H,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine?
(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 221.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81399075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).