(4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-1-yl)methanone

C11H16ClN3O — CID 3569167

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1c(Cl)cnn1C
InChIInChI=1S/C11H16ClN3O/c1-8-5-3-4-6-15(8)11(16)10-9(12)7-13-14(10)2/h7-8H,3-6H2,1-2H3
InChIKeyKBAPCFHMTCXKIQ-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.09
Rot. Bonds1

About (4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-1-yl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 3569167) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID3569167
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1c(Cl)cnn1C
InChIInChI=1S/C11H16ClN3O/c1-8-5-3-4-6-15(8)11(16)10-9(12)7-13-14(10)2/h7-8H,3-6H2,1-2H3
InChIKeyKBAPCFHMTCXKIQ-UHFFFAOYSA-N
XLogP2.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)piperidine
CID 831977
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-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
(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
4-chloro-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
CID 19263507

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-1-yl)methanone (CID 3569167) is (4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1c(Cl)cnn1C.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is KBAPCFHMTCXKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-5-3-4-6-15(8)11(16)10-9(12)7-13-14(10)2/h7-8H,3-6H2,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-1-yl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 241.72 g/mol, XLogP of 2.09, 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)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 3569167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).