2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylethanone

C12H20N4O — CID 53193264

IUPAC2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
SMILESCc1cc(CN(C)CC(=O)N2CCCC2)n[nH]1
InChIInChI=1S/C12H20N4O/c1-10-7-11(14-13-10)8-15(2)9-12(17)16-5-3-4-6-16/h7H,3-6,8-9H2,1-2H3,(H,13,14)
InChIKeySTUUJEMKRPZEKQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.77
Rot. Bonds4

About 2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylethanone

2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylethanone (PubChem CID 53193264) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
PubChem CID53193264
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylethanone
SMILESCc1cc(CN(C)CC(=O)N2CCCC2)n[nH]1
InChIInChI=1S/C12H20N4O/c1-10-7-11(14-13-10)8-15(2)9-12(17)16-5-3-4-6-16/h7H,3-6,8-9H2,1-2H3,(H,13,14)
InChIKeySTUUJEMKRPZEKQ-UHFFFAOYSA-N
XLogP0.77
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylethanone (CID 53193264) is 2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylethanone is Cc1cc(CN(C)CC(=O)N2CCCC2)n[nH]1.
What is the InChIKey of 2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is STUUJEMKRPZEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10-7-11(14-13-10)8-15(2)9-12(17)16-5-3-4-6-16/h7H,3-6,8-9H2,1-2H3,(H,13,14).
What are the key properties of 2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylethanone?
2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 236.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 53193264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).