N-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C18H19N5O — CID 167806033

IUPACN-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCN(C)c1ccc2cc(NC(=O)c3n[nH]c4c3CCC4)ccc2n1
InChIInChI=1S/C18H19N5O/c1-23(2)16-9-6-11-10-12(7-8-14(11)20-16)19-18(24)17-13-4-3-5-15(13)21-22-17/h6-10H,3-5H2,1-2H3,(H,19,24)(H,21,22)
InChIKeyYDCSIJVZPIYAKP-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.76
Rot. Bonds3

About N-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 167806033) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID167806033
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCN(C)c1ccc2cc(NC(=O)c3n[nH]c4c3CCC4)ccc2n1
InChIInChI=1S/C18H19N5O/c1-23(2)16-9-6-11-10-12(7-8-14(11)20-16)19-18(24)17-13-4-3-5-15(13)21-22-17/h6-10H,3-5H2,1-2H3,(H,19,24)(H,21,22)
InChIKeyYDCSIJVZPIYAKP-UHFFFAOYSA-N
XLogP2.76
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2H-benzotriazol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71918378
N-quinoxalin-6-yl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 126787422
methyl 3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)benzoate
CID 110388929
N-(3,5-dimethylphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388886
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110426145
N-(3,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110428948
N-(1-methylbenzimidazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 71700995
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 7556408
N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 53298977
N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388915
N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112818900
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 167806033) is N-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CN(C)c1ccc2cc(NC(=O)c3n[nH]c4c3CCC4)ccc2n1.
What is the InChIKey of N-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is YDCSIJVZPIYAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-23(2)16-9-6-11-10-12(7-8-14(11)20-16)19-18(24)17-13-4-3-5-15(13)21-22-17/h6-10H,3-5H2,1-2H3,(H,19,24)(H,21,22).
What are the key properties of N-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)quinolin-6-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 167806033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).