[3-(dimethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]methanone

C19H26N4O2 — CID 46105396

IUPAC[3-(dimethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]methanone
SMILESCCn1nc(-c2ccccc2OC)cc1C(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C19H26N4O2/c1-5-23-17(19(24)22-11-10-14(13-22)21(2)3)12-16(20-23)15-8-6-7-9-18(15)25-4/h6-9,12,14H,5,10-11,13H2,1-4H3
InChIKeyQYTQPCIZJCVANT-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.35
Rot. Bonds5

About [3-(dimethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]methanone

[3-(dimethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]methanone (PubChem CID 46105396) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]methanone
PubChem CID46105396
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[3-(dimethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]methanone
SMILESCCn1nc(-c2ccccc2OC)cc1C(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C19H26N4O2/c1-5-23-17(19(24)22-11-10-14(13-22)21(2)3)12-16(20-23)15-8-6-7-9-18(15)25-4/h6-9,12,14H,5,10-11,13H2,1-4H3
InChIKeyQYTQPCIZJCVANT-UHFFFAOYSA-N
XLogP2.35
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]methanone?
The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]methanone (CID 46105396) is [3-(dimethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]methanone?
The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]methanone is CCn1nc(-c2ccccc2OC)cc1C(=O)N1CCC(N(C)C)C1.
What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]methanone?
The InChIKey is QYTQPCIZJCVANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-23-17(19(24)22-11-10-14(13-22)21(2)3)12-16(20-23)15-8-6-7-9-18(15)25-4/h6-9,12,14H,5,10-11,13H2,1-4H3.
What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]methanone?
[3-(dimethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)pyrrolidin-1-yl]-[1-ethyl-3-(2-methoxyphenyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 46105396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).