1H-pyrazol-5-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone

C19H20N4O — CID 110098814

IUPAC1H-pyrazol-5-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCC(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C19H20N4O/c24-19(17-6-10-21-22-17)23-11-7-14(8-12-23)13-16-4-1-3-15-5-2-9-20-18(15)16/h1-6,9-10,14H,7-8,11-13H2,(H,21,22)
InChIKeyGIJFBHPGOOPSHF-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.05
Rot. Bonds3

About 1H-pyrazol-5-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone

1H-pyrazol-5-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110098814) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1H-pyrazol-5-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-pyrazol-5-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
PubChem CID110098814
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1H-pyrazol-5-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCC(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C19H20N4O/c24-19(17-6-10-21-22-17)23-11-7-14(8-12-23)13-16-4-1-3-15-5-2-9-20-18(15)16/h1-6,9-10,14H,7-8,11-13H2,(H,21,22)
InChIKeyGIJFBHPGOOPSHF-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

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of 1H-pyrazol-5-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone (CID 110098814) is 1H-pyrazol-5-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 1H-pyrazol-5-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for 1H-pyrazol-5-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccn[nH]1)N1CCC(Cc2cccc3cccnc23)CC1.
What is the InChIKey of 1H-pyrazol-5-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is GIJFBHPGOOPSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-19(17-6-10-21-22-17)23-11-7-14(8-12-23)13-16-4-1-3-15-5-2-9-20-18(15)16/h1-6,9-10,14H,7-8,11-13H2,(H,21,22).
What are the key properties of 1H-pyrazol-5-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone?
1H-pyrazol-5-yl-[4-(quinolin-8-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-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110098814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).