(1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C14H19N5O — CID 86888139

IUPAC(1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC2c2cnn(C)c2)nn1C
InChIInChI=1S/C14H19N5O/c1-10-7-12(16-18(10)3)14(20)19-6-4-5-13(19)11-8-15-17(2)9-11/h7-9,13H,4-6H2,1-3H3
InChIKeyHDMPEHOFXHZZSJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.44
Rot. Bonds2

About (1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

(1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 86888139) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID86888139
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC2c2cnn(C)c2)nn1C
InChIInChI=1S/C14H19N5O/c1-10-7-12(16-18(10)3)14(20)19-6-4-5-13(19)11-8-15-17(2)9-11/h7-9,13H,4-6H2,1-3H3
InChIKeyHDMPEHOFXHZZSJ-UHFFFAOYSA-N
XLogP1.44
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 86888139) is (1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC2c2cnn(C)c2)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is HDMPEHOFXHZZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-7-12(16-18(10)3)14(20)19-6-4-5-13(19)11-8-15-17(2)9-11/h7-9,13H,4-6H2,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
(1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 273.34 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 86888139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).