(1R)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine

C14H21N3S — CID 81399161

IUPAC(1R)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(C)c1nn(C)cc1CN[C@H](C)c1cccs1
InChIInChI=1S/C14H21N3S/c1-10(2)14-12(9-17(4)16-14)8-15-11(3)13-6-5-7-18-13/h5-7,9-11,15H,8H2,1-4H3/t11-/m1/s1
InChIKeyNLLOMMUXANMHGS-LLVKDONJSA-N
MW263.41 g/mol
LogP3.46
Rot. Bonds5

About (1R)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine

(1R)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 81399161) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is (1R)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID81399161
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name(1R)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(C)c1nn(C)cc1CN[C@H](C)c1cccs1
InChIInChI=1S/C14H21N3S/c1-10(2)14-12(9-17(4)16-14)8-15-11(3)13-6-5-7-18-13/h5-7,9-11,15H,8H2,1-4H3/t11-/m1/s1
InChIKeyNLLOMMUXANMHGS-LLVKDONJSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 81350265
(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398244
N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 107042155
2-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]phenol
CID 28683494
(1R)-1-(3-methylphenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 81363130
N,N,1-trimethyl-3-propan-2-yl-4-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]pyrazol-5-amine
CID 94823190
(1R)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81408199
N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178818
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399075
(1S)-N-(naphthalen-1-ylmethyl)-1-thiophen-2-ylethanamine
CID 28683348
(1S)-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81409230

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of (1R)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine (CID 81399161) is (1R)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for (1R)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine is CC(C)c1nn(C)cc1CN[C@H](C)c1cccs1.
What is the InChIKey of (1R)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is NLLOMMUXANMHGS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3S/c1-10(2)14-12(9-17(4)16-14)8-15-11(3)13-6-5-7-18-13/h5-7,9-11,15H,8H2,1-4H3/t11-/m1/s1.
What are the key properties of (1R)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine?
(1R)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 263.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 81399161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).