(3-cyclopropylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone

C24H25N3O3 — CID 166188464

IUPAC(3-cyclopropylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCOCC3C3CC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C24H25N3O3/c1-29-20-11-9-17(10-12-20)22-15-21(25-27(22)19-5-3-2-4-6-19)24(28)26-13-14-30-16-23(26)18-7-8-18/h2-6,9-12,15,18,23H,7-8,13-14,16H2,1H3
InChIKeyKMWXZQVMEFYEQL-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.80
Rot. Bonds5

About (3-cyclopropylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone

(3-cyclopropylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone (PubChem CID 166188464) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is (3-cyclopropylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
PubChem CID166188464
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name(3-cyclopropylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCOCC3C3CC3)nn2-c2ccccc2)cc1
InChIInChI=1S/C24H25N3O3/c1-29-20-11-9-17(10-12-20)22-15-21(25-27(22)19-5-3-2-4-6-19)24(28)26-13-14-30-16-23(26)18-7-8-18/h2-6,9-12,15,18,23H,7-8,13-14,16H2,1H3
InChIKeyKMWXZQVMEFYEQL-UHFFFAOYSA-N
XLogP3.80
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone?
The IUPAC name of (3-cyclopropylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone (CID 166188464) is (3-cyclopropylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone.
What is the SMILES notation for (3-cyclopropylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone?
The canonical SMILES for (3-cyclopropylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCOCC3C3CC3)nn2-c2ccccc2)cc1.
What is the InChIKey of (3-cyclopropylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone?
The InChIKey is KMWXZQVMEFYEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-29-20-11-9-17(10-12-20)22-15-21(25-27(22)19-5-3-2-4-6-19)24(28)26-13-14-30-16-23(26)18-7-8-18/h2-6,9-12,15,18,23H,7-8,13-14,16H2,1H3.
What are the key properties of (3-cyclopropylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone?
(3-cyclopropylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone has a molecular weight of 403.48 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone is sourced from PubChem (CID 166188464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).