(1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine

C16H23N3S — CID 81384549

IUPAC(1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESC[C@@H](NCc1cn[nH]c1-c1cccs1)C1CCCCC1
InChIInChI=1S/C16H23N3S/c1-12(13-6-3-2-4-7-13)17-10-14-11-18-19-16(14)15-8-5-9-20-15/h5,8-9,11-13,17H,2-4,6-7,10H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyGMTIDCNNJFWKTP-GFCCVEGCSA-N
MW289.45 g/mol
LogP4.20
Rot. Bonds5

About (1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine

(1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 81384549) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID81384549
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name(1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESC[C@@H](NCc1cn[nH]c1-c1cccs1)C1CCCCC1
InChIInChI=1S/C16H23N3S/c1-12(13-6-3-2-4-7-13)17-10-14-11-18-19-16(14)15-8-5-9-20-15/h5,8-9,11-13,17H,2-4,6-7,10H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyGMTIDCNNJFWKTP-GFCCVEGCSA-N
XLogP4.20
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine with MolForge

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Related Compounds

(2R)-N-cyclopentyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 95205075
1-piperidin-1-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43791776
1-thiophen-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43233218
2-methyl-1-thiophen-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43233315
N-methyl-2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 54950520
2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanoic acid
CID 54959684
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine
CID 43769306
1-cyclohexyl-N-(thiophen-2-ylmethyl)ethanamine;hydrochloride
CID 69253507
[2-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 106359673
(1R)-1-(3-fluorophenyl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81368214
1-cyclopropyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43776581
(1S)-1-cycloheptyl-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]ethanamine
CID 81390018

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine (CID 81384549) is (1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine is C[C@@H](NCc1cn[nH]c1-c1cccs1)C1CCCCC1.
What is the InChIKey of (1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is GMTIDCNNJFWKTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3S/c1-12(13-6-3-2-4-7-13)17-10-14-11-18-19-16(14)15-8-5-9-20-15/h5,8-9,11-13,17H,2-4,6-7,10H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine?
(1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 289.45 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 81384549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).