[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylmethanone

C19H22N4O — CID 54581344

IUPAC[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylmethanone
SMILESO=C(N1CCC(c2cn[nH]c2)C1)N1CCC2(CC2)c2ccccc21
InChIInChI=1S/C19H22N4O/c24-18(22-9-5-14(13-22)15-11-20-21-12-15)23-10-8-19(6-7-19)16-3-1-2-4-17(16)23/h1-4,11-12,14H,5-10,13H2,(H,20,21)
InChIKeyOXYXHQWLTFPDDR-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.26
Rot. Bonds1

About [3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylmethanone

[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylmethanone (PubChem CID 54581344) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is [3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylmethanone.

Molecular Properties

Compound Name[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylmethanone
PubChem CID54581344
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylmethanone
SMILESO=C(N1CCC(c2cn[nH]c2)C1)N1CCC2(CC2)c2ccccc21
InChIInChI=1S/C19H22N4O/c24-18(22-9-5-14(13-22)15-11-20-21-12-15)23-10-8-19(6-7-19)16-3-1-2-4-17(16)23/h1-4,11-12,14H,5-10,13H2,(H,20,21)
InChIKeyOXYXHQWLTFPDDR-UHFFFAOYSA-N
XLogP3.26
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-(1H-pyrazol-4-yl)piperidin-1-yl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 24896062
1-benzyl-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 45381162
(3,4-dihydroquinolin-1(2H)-yl)(4-(1-methyl-1H-pyrazol-4-yl)piperidin-1-yl)methanone
CID 54580341
(3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 54580343
4-(4-(3-(1H-pyrazol-4-yl)pyrrolidine-1-carbonyl)-3,4-dihydroquinoxalin-1(2H)-yl)benzonitrile
CID 54580344
(4-(1H-pyrazol-3-yl)piperidin-1-yl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 54581343
(3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(3,4-dihydroquinoxalin-1(2H)-yl)methanone
CID 54583350
(3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(4-methyl-3,4-dihydroquinoxalin-1(2H)-yl)methanone
CID 54584300
(3-(1H-pyrazol-4-yl)pyrrolidin-1-yl)(4,4-dimethyl-3,4-dihydroquinolin-1(2H)-yl)methanone
CID 54587244
Rock-IN-D3
CID 68520643
1-[3-(dimethylamino)-1-phenylpropyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68561726
1-(cyclohexylmethyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68563753

Frequently Asked Questions

What is the IUPAC name of [3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylmethanone?
The IUPAC name of [3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylmethanone (CID 54581344) is [3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylmethanone.
What is the SMILES notation for [3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylmethanone?
The canonical SMILES for [3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylmethanone is O=C(N1CCC(c2cn[nH]c2)C1)N1CCC2(CC2)c2ccccc21.
What is the InChIKey of [3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylmethanone?
The InChIKey is OXYXHQWLTFPDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-18(22-9-5-14(13-22)15-11-20-21-12-15)23-10-8-19(6-7-19)16-3-1-2-4-17(16)23/h1-4,11-12,14H,5-10,13H2,(H,20,21).
What are the key properties of [3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylmethanone?
[3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylmethanone has a molecular weight of 322.41 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-pyrazol-4-yl)pyrrolidin-1-yl]-spiro[2,3-dihydroquinoline-4,1'-cyclopropane]-1-ylmethanone is sourced from PubChem (CID 54581344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).