1-(1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride

C10H17Cl2N3O — CID 71756740

IUPAC1-(1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
SMILESCl.Cl.Cn1cc(C(=O)CC2CCCN2)cn1
InChIInChI=1S/C10H15N3O.2ClH/c1-13-7-8(6-12-13)10(14)5-9-3-2-4-11-9;;/h6-7,9,11H,2-5H2,1H3;2*1H
InChIKeySLKVMGXAQPYCAB-UHFFFAOYSA-N
MW266.17 g/mol
LogP1.59
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride

1-(1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride (PubChem CID 71756740) has the molecular formula C10H17Cl2N3O and a molecular weight of 266.17 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
PubChem CID71756740
Molecular FormulaC10H17Cl2N3O
Molecular Weight266.17 g/mol
Exact Mass265.07
IUPAC Name1-(1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
SMILESCl.Cl.Cn1cc(C(=O)CC2CCCN2)cn1
InChIInChI=1S/C10H15N3O.2ClH/c1-13-7-8(6-12-13)10(14)5-9-3-2-4-11-9;;/h6-7,9,11H,2-5H2,1H3;2*1H
InChIKeySLKVMGXAQPYCAB-UHFFFAOYSA-N
XLogP1.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride (CID 71756740) is 1-(1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride is Cl.Cl.Cn1cc(C(=O)CC2CCCN2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride?
The InChIKey is SLKVMGXAQPYCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O.2ClH/c1-13-7-8(6-12-13)10(14)5-9-3-2-4-11-9;;/h6-7,9,11H,2-5H2,1H3;2*1H.
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride?
1-(1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride has a molecular weight of 266.17 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride is sourced from PubChem (CID 71756740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).