(4-chloro-1,5-dimethylpyrazol-3-yl)-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone

C14H21ClN4O2 — CID 138035622

IUPAC(4-chloro-1,5-dimethylpyrazol-3-yl)-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone
SMILESCc1c(Cl)c(C(=O)N2CC(CN3CCOCC3)C2)nn1C
InChIInChI=1S/C14H21ClN4O2/c1-10-12(15)13(16-17(10)2)14(20)19-8-11(9-19)7-18-3-5-21-6-4-18/h11H,3-9H2,1-2H3
InChIKeyPELYPZXWNAZCIF-UHFFFAOYSA-N
MW312.80 g/mol
LogP0.79
Rot. Bonds3

About (4-chloro-1,5-dimethylpyrazol-3-yl)-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone

(4-chloro-1,5-dimethylpyrazol-3-yl)-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone (PubChem CID 138035622) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is (4-chloro-1,5-dimethylpyrazol-3-yl)-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1,5-dimethylpyrazol-3-yl)-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone
PubChem CID138035622
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC Name(4-chloro-1,5-dimethylpyrazol-3-yl)-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone
SMILESCc1c(Cl)c(C(=O)N2CC(CN3CCOCC3)C2)nn1C
InChIInChI=1S/C14H21ClN4O2/c1-10-12(15)13(16-17(10)2)14(20)19-8-11(9-19)7-18-3-5-21-6-4-18/h11H,3-9H2,1-2H3
InChIKeyPELYPZXWNAZCIF-UHFFFAOYSA-N
XLogP0.79
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 19266741
(4-chloro-1,5-dimethylpyrazol-3-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone
CID 70772303
1-[3-(morpholin-4-ylmethyl)azetidin-1-yl]ethanone
CID 130138001
(4-chloro-1,5-dimethylpyrazol-3-yl)-piperazin-1-ylmethanone
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[3-(morpholin-4-ylmethyl)azetidin-1-yl]-(1,7-naphthyridin-8-yl)methanone
CID 154780983
[5-(difluoromethyl)-1-methylpyrazol-3-yl]-[(3S)-3-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 136586354
(3-chloro-5-methylphenyl)-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
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(4-chloro-1,5-dimethylpyrazol-3-yl)-[4-hydroxy-4-(hydroxymethyl)azepan-1-yl]methanone
CID 56884820
[(3aS,5S,6aS)-4-(4-chloro-1,5-dimethylpyrazole-3-carbonyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 138013164
[6-(cyclohexylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 155901237
(4-chloro-1,5-dimethylpyrazol-3-yl)-(4-pyridin-3-ylpiperazin-1-yl)methanone
CID 72938609
[3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 156606668

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1,5-dimethylpyrazol-3-yl)-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone?
The IUPAC name of (4-chloro-1,5-dimethylpyrazol-3-yl)-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone (CID 138035622) is (4-chloro-1,5-dimethylpyrazol-3-yl)-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1,5-dimethylpyrazol-3-yl)-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1,5-dimethylpyrazol-3-yl)-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone is Cc1c(Cl)c(C(=O)N2CC(CN3CCOCC3)C2)nn1C.
What is the InChIKey of (4-chloro-1,5-dimethylpyrazol-3-yl)-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone?
The InChIKey is PELYPZXWNAZCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2/c1-10-12(15)13(16-17(10)2)14(20)19-8-11(9-19)7-18-3-5-21-6-4-18/h11H,3-9H2,1-2H3.
What are the key properties of (4-chloro-1,5-dimethylpyrazol-3-yl)-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone?
(4-chloro-1,5-dimethylpyrazol-3-yl)-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone has a molecular weight of 312.80 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,5-dimethylpyrazol-3-yl)-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 138035622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).