[1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]methanone

C21H28N4O4 — CID 97000310

IUPAC[1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-n2ccc(C(=O)N3CC[C@@H](OCCN4CCOCC4)C3)n2)cc1
InChIInChI=1S/C21H28N4O4/c1-27-18-4-2-17(3-5-18)25-9-7-20(22-25)21(26)24-8-6-19(16-24)29-15-12-23-10-13-28-14-11-23/h2-5,7,9,19H,6,8,10-16H2,1H3/t19-/m1/s1
InChIKeyIZPRVFTXYGYCDR-LJQANCHMSA-N
MW400.48 g/mol
LogP1.44
Rot. Bonds7

About [1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]methanone

[1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]methanone (PubChem CID 97000310) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]methanone
PubChem CID97000310
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name[1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-n2ccc(C(=O)N3CC[C@@H](OCCN4CCOCC4)C3)n2)cc1
InChIInChI=1S/C21H28N4O4/c1-27-18-4-2-17(3-5-18)25-9-7-20(22-25)21(26)24-8-6-19(16-24)29-15-12-23-10-13-28-14-11-23/h2-5,7,9,19H,6,8,10-16H2,1H3/t19-/m1/s1
InChIKeyIZPRVFTXYGYCDR-LJQANCHMSA-N
XLogP1.44
TPSA69.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]methanone?
The IUPAC name of [1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]methanone (CID 97000310) is [1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]methanone is COc1ccc(-n2ccc(C(=O)N3CC[C@@H](OCCN4CCOCC4)C3)n2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]methanone?
The InChIKey is IZPRVFTXYGYCDR-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-27-18-4-2-17(3-5-18)25-9-7-20(22-25)21(26)24-8-6-19(16-24)29-15-12-23-10-13-28-14-11-23/h2-5,7,9,19H,6,8,10-16H2,1H3/t19-/m1/s1.
What are the key properties of [1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]methanone?
[1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]methanone has a molecular weight of 400.48 g/mol, XLogP of 1.44, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97000310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).