[3-(cyclopropylmethyl)morpholin-4-yl]-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]methanone

C19H29N3O3 — CID 136566417

IUPAC[3-(cyclopropylmethyl)morpholin-4-yl]-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]methanone
SMILESCc1nn(C2CCOCC2)c(C)c1C(=O)N1CCOCC1CC1CC1
InChIInChI=1S/C19H29N3O3/c1-13-18(14(2)22(20-13)16-5-8-24-9-6-16)19(23)21-7-10-25-12-17(21)11-15-3-4-15/h15-17H,3-12H2,1-2H3
InChIKeyJOFJJBSDVKJAGG-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.49
Rot. Bonds4

About [3-(cyclopropylmethyl)morpholin-4-yl]-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]methanone

[3-(cyclopropylmethyl)morpholin-4-yl]-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]methanone (PubChem CID 136566417) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is [3-(cyclopropylmethyl)morpholin-4-yl]-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethyl)morpholin-4-yl]-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]methanone
PubChem CID136566417
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name[3-(cyclopropylmethyl)morpholin-4-yl]-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]methanone
SMILESCc1nn(C2CCOCC2)c(C)c1C(=O)N1CCOCC1CC1CC1
InChIInChI=1S/C19H29N3O3/c1-13-18(14(2)22(20-13)16-5-8-24-9-6-16)19(23)21-7-10-25-12-17(21)11-15-3-4-15/h15-17H,3-12H2,1-2H3
InChIKeyJOFJJBSDVKJAGG-UHFFFAOYSA-N
XLogP2.49
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethyl)morpholin-4-yl]-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]methanone?
The IUPAC name of [3-(cyclopropylmethyl)morpholin-4-yl]-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]methanone (CID 136566417) is [3-(cyclopropylmethyl)morpholin-4-yl]-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]methanone.
What is the SMILES notation for [3-(cyclopropylmethyl)morpholin-4-yl]-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]methanone?
The canonical SMILES for [3-(cyclopropylmethyl)morpholin-4-yl]-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]methanone is Cc1nn(C2CCOCC2)c(C)c1C(=O)N1CCOCC1CC1CC1.
What is the InChIKey of [3-(cyclopropylmethyl)morpholin-4-yl]-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]methanone?
The InChIKey is JOFJJBSDVKJAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-18(14(2)22(20-13)16-5-8-24-9-6-16)19(23)21-7-10-25-12-17(21)11-15-3-4-15/h15-17H,3-12H2,1-2H3.
What are the key properties of [3-(cyclopropylmethyl)morpholin-4-yl]-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]methanone?
[3-(cyclopropylmethyl)morpholin-4-yl]-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]methanone has a molecular weight of 347.46 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethyl)morpholin-4-yl]-[3,5-dimethyl-1-(oxan-4-yl)pyrazol-4-yl]methanone is sourced from PubChem (CID 136566417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).