4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine

C12H14N4O2S — CID 60814697

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C12H14N4O2S/c13-12-11(8-14-15-12)19(17,18)16-7-3-5-9-4-1-2-6-10(9)16/h1-2,4,6,8H,3,5,7H2,(H3,13,14,15)
InChIKeyCNUCZLAJCGVFPK-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.13
Rot. Bonds2

About 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine (PubChem CID 60814697) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine
PubChem CID60814697
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C12H14N4O2S/c13-12-11(8-14-15-12)19(17,18)16-7-3-5-9-4-1-2-6-10(9)16/h1-2,4,6,8H,3,5,7H2,(H3,13,14,15)
InChIKeyCNUCZLAJCGVFPK-UHFFFAOYSA-N
XLogP1.13
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenol
CID 81233664
1-(2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 51169545
1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 62998708
1-methylsulfonyl-3,4-dihydro-2H-quinoline
CID 669103
1-[2-(trifluoromethoxy)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 3483007
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzenesulfonamide
CID 31064364
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-2-fluoroaniline
CID 82845024
3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one
CID 23611829
1-(trifluoromethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 15836554
1-[(6-methoxy-3-pyridinyl)sulfonyl]-3,4-dihydro-2H-quinoline
CID 99803410
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 2129442
5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 6624044

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine (CID 60814697) is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1S(=O)(=O)N1CCCc2ccccc21.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine?
The InChIKey is CNUCZLAJCGVFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c13-12-11(8-14-15-12)19(17,18)16-7-3-5-9-4-1-2-6-10(9)16/h1-2,4,6,8H,3,5,7H2,(H3,13,14,15).
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine?
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine has a molecular weight of 278.34 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 60814697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).