[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

C19H22N6O — CID 45220434

IUPAC[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESCc1cc(C)n(Cc2cc(C(=O)N3CCCC3c3ccccn3)n[nH]2)n1
InChIInChI=1S/C19H22N6O/c1-13-10-14(2)25(23-13)12-15-11-17(22-21-15)19(26)24-9-5-7-18(24)16-6-3-4-8-20-16/h3-4,6,8,10-11,18H,5,7,9,12H2,1-2H3,(H,21,22)
InChIKeyTWJLEFYPXAZXQI-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.64
Rot. Bonds4

About [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone

[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (PubChem CID 45220434) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
PubChem CID45220434
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
SMILESCc1cc(C)n(Cc2cc(C(=O)N3CCCC3c3ccccn3)n[nH]2)n1
InChIInChI=1S/C19H22N6O/c1-13-10-14(2)25(23-13)12-15-11-17(22-21-15)19(26)24-9-5-7-18(24)16-6-3-4-8-20-16/h3-4,6,8,10-11,18H,5,7,9,12H2,1-2H3,(H,21,22)
InChIKeyTWJLEFYPXAZXQI-UHFFFAOYSA-N
XLogP2.64
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-((E,2E)-2-Methyl-3-phenyl-2-propenylidene)-3-(1-methyl-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 6869472
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 1473242
US10022354, Example 2
CID 95834606
US10022354, Example 1
CID 95834607
US10022354, Example 78
CID 110264830
US10022354, Example 46
CID 121279427
US10022354, Example 47
CID 121279428
US10022354, Example 71
CID 121279677
US10022354, Example 45
CID 121279684
US10022354, Example 48
CID 121279687
US10022354, Example 69
CID 121279703
3-(1-ME-1H-Pyrrol-2-YL)-N'-(3-PH-2-propenylidene)-1H-pyrazole-5-carbohydrazide
CID 6900541

Frequently Asked Questions

What is the IUPAC name of [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone (CID 45220434) is [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is Cc1cc(C)n(Cc2cc(C(=O)N3CCCC3c3ccccn3)n[nH]2)n1.
What is the InChIKey of [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is TWJLEFYPXAZXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-10-14(2)25(23-13)12-15-11-17(22-21-15)19(26)24-9-5-7-18(24)16-6-3-4-8-20-16/h3-4,6,8,10-11,18H,5,7,9,12H2,1-2H3,(H,21,22).
What are the key properties of [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone?
[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 350.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 45220434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).