(4-chloro-1-methylpyrazol-5-yl)-piperidin-1-ylmethanone

C10H14ClN3O — CID 831977

IUPAC(4-chloro-1-methylpyrazol-5-yl)-piperidin-1-ylmethanone
SMILESCn1ncc(Cl)c1C(=O)N1CCCCC1
InChIInChI=1S/C10H14ClN3O/c1-13-9(8(11)7-12-13)10(15)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKeyKRGQOKCRZMRVRH-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.70
Rot. Bonds1

About (4-chloro-1-methylpyrazol-5-yl)-piperidin-1-ylmethanone

(4-chloro-1-methylpyrazol-5-yl)-piperidin-1-ylmethanone (PubChem CID 831977) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-piperidin-1-ylmethanone
PubChem CID831977
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-piperidin-1-ylmethanone
SMILESCn1ncc(Cl)c1C(=O)N1CCCCC1
InChIInChI=1S/C10H14ClN3O/c1-13-9(8(11)7-12-13)10(15)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKeyKRGQOKCRZMRVRH-UHFFFAOYSA-N
XLogP1.70
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide
CID 891856
(4-Chloro-2-methylpyrazol-3-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 6464556
ethyl 4-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-1-piperazinecarboxylate
CID 842664
4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903070
4-Chloro-1-methylpyrazol-5-yl 2-methylpiperidyl ketone
CID 3569167
(4-Chloro-2-methylpyrazol-3-yl)-(4-propylpiperazin-1-yl)methanone
CID 6466398
4-chloro-N-cycloheptyl-1-methyl-1H-pyrazole-3-carboxamide
CID 892375
(4-Chloro-2-methylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 6470292
(5-Chloro-1-methyl-1H-pyrazol-3-yl)-1-piperidinylmethanone
CID 2777247
(4-chloro-1-ethylpyrazol-5-yl)-N,N-diethylcarboxamide
CID 19575784
4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19263348
4-chloro-N-[3-(dimethylamino)propyl]-1-ethylpyrazole-3-carboxamide
CID 19263350

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-piperidin-1-ylmethanone (CID 831977) is (4-chloro-1-methylpyrazol-5-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-piperidin-1-ylmethanone is Cn1ncc(Cl)c1C(=O)N1CCCCC1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-piperidin-1-ylmethanone?
The InChIKey is KRGQOKCRZMRVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-13-9(8(11)7-12-13)10(15)14-5-3-2-4-6-14/h7H,2-6H2,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-piperidin-1-ylmethanone?
(4-chloro-1-methylpyrazol-5-yl)-piperidin-1-ylmethanone has a molecular weight of 227.69 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 831977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).