1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone

C19H20N4O — CID 110098808

IUPAC1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCCC(Cc2ccnc3ccccc23)C1
InChIInChI=1S/C19H20N4O/c24-19(18-8-10-21-22-18)23-11-3-4-14(13-23)12-15-7-9-20-17-6-2-1-5-16(15)17/h1-2,5-10,14H,3-4,11-13H2,(H,21,22)
InChIKeyFQTRZCIQNUVFGB-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.05
Rot. Bonds3

About 1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone

1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110098808) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID110098808
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCCC(Cc2ccnc3ccccc23)C1
InChIInChI=1S/C19H20N4O/c24-19(18-8-10-21-22-18)23-11-3-4-14(13-23)12-15-7-9-20-17-6-2-1-5-16(15)17/h1-2,5-10,14H,3-4,11-13H2,(H,21,22)
InChIKeyFQTRZCIQNUVFGB-UHFFFAOYSA-N
XLogP3.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone 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

[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95174843
(2-methylpyrimidin-4-yl)-[(3R)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 124961035
(1-methylimidazol-4-yl)-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110098868
(1-methylimidazol-4-yl)-[(3S)-3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 125020810
[3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110113329
pyrimidin-5-yl-[(3S)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124950383
1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95399020
1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone
CID 124948806
(5-methylpyrazin-2-yl)-[(3R)-3-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 124956263
[(3R)-3-(quinolin-5-ylmethyl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 124967130
(5-methylpyrazin-2-yl)-[3-(quinolin-5-ylmethyl)piperidin-1-yl]methanone
CID 175652174
[3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 63080160

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of 1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone (CID 110098808) is 1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccn[nH]1)N1CCCC(Cc2ccnc3ccccc23)C1.
What is the InChIKey of 1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is FQTRZCIQNUVFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19(18-8-10-21-22-18)23-11-3-4-14(13-23)12-15-7-9-20-17-6-2-1-5-16(15)17/h1-2,5-10,14H,3-4,11-13H2,(H,21,22).
What are the key properties of 1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone?
1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 320.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110098808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).