(4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone

C14H22ClN3O2 — CID 114641477

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)c2c(Cl)cnn2CCC)C1
InChIInChI=1S/C14H22ClN3O2/c1-3-5-17-7-8-20-12(10-17)14(19)13-11(15)9-16-18(13)6-4-2/h9,12H,3-8,10H2,1-2H3
InChIKeyRITONODTLWQKQT-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.24
Rot. Bonds6

About (4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone

(4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone (PubChem CID 114641477) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone
PubChem CID114641477
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)c2c(Cl)cnn2CCC)C1
InChIInChI=1S/C14H22ClN3O2/c1-3-5-17-7-8-20-12(10-17)14(19)13-11(15)9-16-18(13)6-4-2/h9,12H,3-8,10H2,1-2H3
InChIKeyRITONODTLWQKQT-UHFFFAOYSA-N
XLogP2.24
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone
CID 114641456
(4-methoxy-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone
CID 114641469
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propylmorpholin-2-yl)methanone
CID 114641476
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylmorpholin-2-yl)methanone
CID 114641317
(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone
CID 114686036
(1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone
CID 79669008
(5-methyl-3-pyridinyl)-(4-propylmorpholin-2-yl)methanone
CID 113297079
2-(3,4-dichlorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669702
(4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone
CID 114640796
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone
CID 115815285
(4-bromo-1-methylpyrazol-5-yl)-(4-ethylmorpholin-2-yl)methanone
CID 114641459
(4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone
CID 79663285

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone (CID 114641477) is (4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone is CCCN1CCOC(C(=O)c2c(Cl)cnn2CCC)C1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone?
The InChIKey is RITONODTLWQKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-3-5-17-7-8-20-12(10-17)14(19)13-11(15)9-16-18(13)6-4-2/h9,12H,3-8,10H2,1-2H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone?
(4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone has a molecular weight of 299.80 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(4-propylmorpholin-2-yl)methanone is sourced from PubChem (CID 114641477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).