[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone

C13H22N4O — CID 79026084

IUPAC[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
SMILESCc1n[nH]c(C)c1C(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C13H22N4O/c1-8-6-17(7-11(8)16(4)5)13(18)12-9(2)14-15-10(12)3/h8,11H,6-7H2,1-5H3,(H,14,15)
InChIKeyGHKWKZLLZHOMIL-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.05
Rot. Bonds2

About [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone

[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone (PubChem CID 79026084) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
PubChem CID79026084
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
SMILESCc1n[nH]c(C)c1C(=O)N1CC(C)C(N(C)C)C1
InChIInChI=1S/C13H22N4O/c1-8-6-17(7-11(8)16(4)5)13(18)12-9(2)14-15-10(12)3/h8,11H,6-7H2,1-5H3,(H,14,15)
InChIKeyGHKWKZLLZHOMIL-UHFFFAOYSA-N
XLogP1.05
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone (CID 79026084) is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone is Cc1n[nH]c(C)c1C(=O)N1CC(C)C(N(C)C)C1.
What is the InChIKey of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone?
The InChIKey is GHKWKZLLZHOMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8-6-17(7-11(8)16(4)5)13(18)12-9(2)14-15-10(12)3/h8,11H,6-7H2,1-5H3,(H,14,15).
What are the key properties of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone?
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 79026084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).