6-chloro-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one

C19H18ClN3O3 — CID 90495108

IUPAC6-chloro-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one
SMILESO=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C19H18ClN3O3/c20-14-2-3-17-15(10-14)16(24)11-18(26-17)19(25)22-8-4-13(5-9-22)12-23-7-1-6-21-23/h1-3,6-7,10-11,13H,4-5,8-9,12H2
InChIKeyUUMYOKAKVUKTIT-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.20
Rot. Bonds3

About 6-chloro-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one

6-chloro-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one (PubChem CID 90495108) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 6-chloro-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name6-chloro-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one
PubChem CID90495108
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name6-chloro-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one
SMILESO=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C19H18ClN3O3/c20-14-2-3-17-15(10-14)16(24)11-18(26-17)19(25)22-8-4-13(5-9-22)12-23-7-1-6-21-23/h1-3,6-7,10-11,13H,4-5,8-9,12H2
InChIKeyUUMYOKAKVUKTIT-UHFFFAOYSA-N
XLogP3.20
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dimethyl-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one
CID 90495109
1-(6-chloro-4-oxochromene-2-carbonyl)-4-(sulfamoylamino)piperidine
CID 166246994
6-chloro-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]chromen-4-one
CID 9226731
6-chloro-2-[(3R)-3-methylpiperidine-1-carbonyl]chromen-4-one
CID 29201274
7-chloro-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]-6-methylchromen-4-one
CID 90493337
(2-aminophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119947130
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869
6,7-dimethyl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]chromen-4-one
CID 90493450
1-methyl-3-phenylmethoxy-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-4-one
CID 156584833
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 90495097
(2-bromophenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494885

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one?
The IUPAC name of 6-chloro-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one (CID 90495108) is 6-chloro-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 6-chloro-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one?
The canonical SMILES for 6-chloro-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one is O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of 6-chloro-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one?
The InChIKey is UUMYOKAKVUKTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c20-14-2-3-17-15(10-14)16(24)11-18(26-17)19(25)22-8-4-13(5-9-22)12-23-7-1-6-21-23/h1-3,6-7,10-11,13H,4-5,8-9,12H2.
What are the key properties of 6-chloro-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one?
6-chloro-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one has a molecular weight of 371.82 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 90495108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).