(4-chloro-1-methylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone

C11H16ClN3O2 — CID 4592769

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2c(Cl)cnn2C)CC(C)O1
InChIInChI=1S/C11H16ClN3O2/c1-7-5-15(6-8(2)17-7)11(16)10-9(12)4-13-14(10)3/h4,7-8H,5-6H2,1-3H3
InChIKeyKYFISNPMKKDNIL-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.32
Rot. Bonds1

About (4-chloro-1-methylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 4592769) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID4592769
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2c(Cl)cnn2C)CC(C)O1
InChIInChI=1S/C11H16ClN3O2/c1-7-5-15(6-8(2)17-7)11(16)10-9(12)4-13-14(10)3/h4,7-8H,5-6H2,1-3H3
InChIKeyKYFISNPMKKDNIL-UHFFFAOYSA-N
XLogP1.32
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)piperidine
CID 831977
(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-1-methylpyrazol-5-yl 2-methylpiperidyl ketone
CID 3569167
4-chloro-2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 6464856
(4-Chloro-2-methylpyrazol-3-yl)-(4-propylpiperazin-1-yl)methanone
CID 6466398
4-chloro-1-methyl-N-[1-(tetrahydro-2-furanyl)ethyl]-1H-pyrazole-5-carboxamide
CID 6468313
(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
(4-Chloro-2-methylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 6470292
4-[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]morpholine
CID 1219641
(4-Bromo-2-methylpyrazol-3-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 4391269
(4-chloro-1-ethylpyrazol-5-yl)-N,N-diethylcarboxamide
CID 19575784

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone (CID 4592769) is (4-chloro-1-methylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2c(Cl)cnn2C)CC(C)O1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is KYFISNPMKKDNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-7-5-15(6-8(2)17-7)11(16)10-9(12)4-13-14(10)3/h4,7-8H,5-6H2,1-3H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 257.72 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 4592769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).