(4R)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine

C14H18BrN3S — CID 95778566

IUPAC(4R)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCn1ncc2c1CCC[C@H]2NCc1csc(Br)c1
InChIInChI=1S/C14H18BrN3S/c1-2-18-13-5-3-4-12(11(13)8-17-18)16-7-10-6-14(15)19-9-10/h6,8-9,12,16H,2-5,7H2,1H3/t12-/m1/s1
InChIKeyUCRIVKOGICBVSM-GFCCVEGCSA-N
MW340.29 g/mol
LogP3.89
Rot. Bonds4

About (4R)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine

(4R)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 95778566) has the molecular formula C14H18BrN3S and a molecular weight of 340.29 g/mol. Its IUPAC name is (4R)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4R)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID95778566
Molecular FormulaC14H18BrN3S
Molecular Weight340.29 g/mol
Exact Mass339.04
IUPAC Name(4R)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCn1ncc2c1CCC[C@H]2NCc1csc(Br)c1
InChIInChI=1S/C14H18BrN3S/c1-2-18-13-5-3-4-12(11(13)8-17-18)16-7-10-6-14(15)19-9-10/h6,8-9,12,16H,2-5,7H2,1H3/t12-/m1/s1
InChIKeyUCRIVKOGICBVSM-GFCCVEGCSA-N
XLogP3.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine with MolForge

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43435382
(4R)-1-ethyl-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 95778666
(4R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778646
(4S)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778611
(4S)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778561
(4R)-1-ethyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 95778690
(4R)-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778624
(4S)-1-ethyl-N-[(4-methoxy-3-propoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 95778587
(4S)-N-[[3-(ethoxymethyl)-4-methoxyphenyl]methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 95778593
1-methyl-N-[(5-nitrothiophen-3-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 60811691
1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384385
2-[4-[(3-bromophenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752493

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4R)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine (CID 95778566) is (4R)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4R)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4R)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine is CCn1ncc2c1CCC[C@H]2NCc1csc(Br)c1.
What is the InChIKey of (4R)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is UCRIVKOGICBVSM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18BrN3S/c1-2-18-13-5-3-4-12(11(13)8-17-18)16-7-10-6-14(15)19-9-10/h6,8-9,12,16H,2-5,7H2,1H3/t12-/m1/s1.
What are the key properties of (4R)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine?
(4R)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 340.29 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(5-bromothiophen-3-yl)methyl]-1-ethyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 95778566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).