N-(1,3-dihydro-2-benzothiophen-5-yl)-5-[3-(2-methylpropyl)cyclobutyl]-1H-pyrazol-3-amine

C19H25N3S — CID 177150500

IUPACN-(1,3-dihydro-2-benzothiophen-5-yl)-5-[3-(2-methylpropyl)cyclobutyl]-1H-pyrazol-3-amine
SMILESCC(C)CC1CC(c2cc(Nc3ccc4c(c3)CSC4)n[nH]2)C1
InChIInChI=1S/C19H25N3S/c1-12(2)5-13-6-15(7-13)18-9-19(22-21-18)20-17-4-3-14-10-23-11-16(14)8-17/h3-4,8-9,12-13,15H,5-7,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyLYBDBYFSSYFPBO-UHFFFAOYSA-N
MW327.50 g/mol
LogP5.44
Rot. Bonds5

About N-(1,3-dihydro-2-benzothiophen-5-yl)-5-[3-(2-methylpropyl)cyclobutyl]-1H-pyrazol-3-amine

N-(1,3-dihydro-2-benzothiophen-5-yl)-5-[3-(2-methylpropyl)cyclobutyl]-1H-pyrazol-3-amine (PubChem CID 177150500) has the molecular formula C19H25N3S and a molecular weight of 327.50 g/mol. Its IUPAC name is N-(1,3-dihydro-2-benzothiophen-5-yl)-5-[3-(2-methylpropyl)cyclobutyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-(1,3-dihydro-2-benzothiophen-5-yl)-5-[3-(2-methylpropyl)cyclobutyl]-1H-pyrazol-3-amine
PubChem CID177150500
Molecular FormulaC19H25N3S
Molecular Weight327.50 g/mol
Exact Mass327.18
IUPAC NameN-(1,3-dihydro-2-benzothiophen-5-yl)-5-[3-(2-methylpropyl)cyclobutyl]-1H-pyrazol-3-amine
SMILESCC(C)CC1CC(c2cc(Nc3ccc4c(c3)CSC4)n[nH]2)C1
InChIInChI=1S/C19H25N3S/c1-12(2)5-13-6-15(7-13)18-9-19(22-21-18)20-17-4-3-14-10-23-11-16(14)8-17/h3-4,8-9,12-13,15H,5-7,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyLYBDBYFSSYFPBO-UHFFFAOYSA-N
XLogP5.44
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.50
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1,3-dihydro-2-benzothiophen-5-yl)-5-[3-(2-methylpropyl)cyclobutyl]-1H-pyrazol-3-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

N-(1,3-dihydro-2-benzothiophen-5-yl)-5-[3-[[4-(ethylamino)phenyl]methyl]cyclopentyl]-4-methyl-1H-pyrazol-3-amine
CID 177150580
2,2-dioxo-N-[5-[(1S,3R)-3-(5-propan-2-yl-1,3-oxazol-2-yl)cyclopentyl]-1H-pyrazol-3-yl]-1,3-dihydro-2,1-benzothiazol-5-amine
CID 176949417
3-[3-(3,4-dihydro-2H-thiochromen-6-ylamino)-1H-pyrazol-5-yl]cyclopentan-1-ol;hydrogen peroxide;methanol
CID 170623923
[(1S,3R)-3-[3-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176714690
[4-[3-[(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-5-yl)amino]-1H-pyrazol-5-yl]cyclohexyl] N-propan-2-ylcarbamate
CID 170623336
[(1S,3R)-3-[3-[(6-fluoro-1,3-dihydro-2-benzothiophen-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176714713
N-[5-[3-[(4-propan-2-ylpyridazin-3-yl)oxymethyl]cyclobutyl]-1H-pyrazol-3-yl]-[1,3]thiazolo[5,4-c]pyridin-4-amine
CID 164880008
5-(3-ethenoxycyclopentyl)-N-(4-fluoro-1,3-dihydro-2-benzothiophen-5-yl)-1H-pyrazol-3-amine
CID 176714746
[(1S,3R)-3-[3-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1,1,1-trifluoropropan-2-yl]carbamate
CID 177076304
cis-(1R,3S)-3-[3-[(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)amino]-1H-pyrazol-5-yl]cyclopentan-1-ol
CID 170623566
1-[1-[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyrrolidin-3-yl]propane-2-thiol
CID 169160007
[(3S)-3-[3-[(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623800

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydro-2-benzothiophen-5-yl)-5-[3-(2-methylpropyl)cyclobutyl]-1H-pyrazol-3-amine?
The IUPAC name of N-(1,3-dihydro-2-benzothiophen-5-yl)-5-[3-(2-methylpropyl)cyclobutyl]-1H-pyrazol-3-amine (CID 177150500) is N-(1,3-dihydro-2-benzothiophen-5-yl)-5-[3-(2-methylpropyl)cyclobutyl]-1H-pyrazol-3-amine.
What is the SMILES notation for N-(1,3-dihydro-2-benzothiophen-5-yl)-5-[3-(2-methylpropyl)cyclobutyl]-1H-pyrazol-3-amine?
The canonical SMILES for N-(1,3-dihydro-2-benzothiophen-5-yl)-5-[3-(2-methylpropyl)cyclobutyl]-1H-pyrazol-3-amine is CC(C)CC1CC(c2cc(Nc3ccc4c(c3)CSC4)n[nH]2)C1.
What is the InChIKey of N-(1,3-dihydro-2-benzothiophen-5-yl)-5-[3-(2-methylpropyl)cyclobutyl]-1H-pyrazol-3-amine?
The InChIKey is LYBDBYFSSYFPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3S/c1-12(2)5-13-6-15(7-13)18-9-19(22-21-18)20-17-4-3-14-10-23-11-16(14)8-17/h3-4,8-9,12-13,15H,5-7,10-11H2,1-2H3,(H2,20,21,22).
What are the key properties of N-(1,3-dihydro-2-benzothiophen-5-yl)-5-[3-(2-methylpropyl)cyclobutyl]-1H-pyrazol-3-amine?
N-(1,3-dihydro-2-benzothiophen-5-yl)-5-[3-(2-methylpropyl)cyclobutyl]-1H-pyrazol-3-amine has a molecular weight of 327.50 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydro-2-benzothiophen-5-yl)-5-[3-(2-methylpropyl)cyclobutyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 177150500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).