(3-amino-4-methylpyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone

C11H18N4O — CID 103575800

IUPAC(3-amino-4-methylpyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
SMILESCc1n[nH]c(C)c1C(=O)N1CC(C)C(N)C1
InChIInChI=1S/C11H18N4O/c1-6-4-15(5-9(6)12)11(16)10-7(2)13-14-8(10)3/h6,9H,4-5,12H2,1-3H3,(H,13,14)
InChIKeyLMEKCJIARGNADR-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.45
Rot. Bonds1

About (3-amino-4-methylpyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone

(3-amino-4-methylpyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone (PubChem CID 103575800) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (3-amino-4-methylpyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-4-methylpyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
PubChem CID103575800
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(3-amino-4-methylpyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
SMILESCc1n[nH]c(C)c1C(=O)N1CC(C)C(N)C1
InChIInChI=1S/C11H18N4O/c1-6-4-15(5-9(6)12)11(16)10-7(2)13-14-8(10)3/h6,9H,4-5,12H2,1-3H3,(H,13,14)
InChIKeyLMEKCJIARGNADR-UHFFFAOYSA-N
XLogP0.45
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of (3-amino-4-methylpyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone (CID 103575800) is (3-amino-4-methylpyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (3-amino-4-methylpyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for (3-amino-4-methylpyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone is Cc1n[nH]c(C)c1C(=O)N1CC(C)C(N)C1.
What is the InChIKey of (3-amino-4-methylpyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone?
The InChIKey is LMEKCJIARGNADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-6-4-15(5-9(6)12)11(16)10-7(2)13-14-8(10)3/h6,9H,4-5,12H2,1-3H3,(H,13,14).
What are the key properties of (3-amino-4-methylpyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone?
(3-amino-4-methylpyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylpyrrolidin-1-yl)-(3,5-dimethyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 103575800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).