1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one

C11H17N3O — CID 110256008

IUPAC1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2ccn[nH]2)C1
InChIInChI=1S/C11H17N3O/c1-2-3-11(15)14-7-5-9(8-14)10-4-6-12-13-10/h4,6,9H,2-3,5,7-8H2,1H3,(H,12,13)
InChIKeyRBSBKVZOWXMKRW-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.53
Rot. Bonds3

About 1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one

1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one (PubChem CID 110256008) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
PubChem CID110256008
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2ccn[nH]2)C1
InChIInChI=1S/C11H17N3O/c1-2-3-11(15)14-7-5-9(8-14)10-4-6-12-13-10/h4,6,9H,2-3,5,7-8H2,1H3,(H,12,13)
InChIKeyRBSBKVZOWXMKRW-UHFFFAOYSA-N
XLogP1.53
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one (CID 110256008) is 1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one is CCCC(=O)N1CCC(c2ccn[nH]2)C1.
What is the InChIKey of 1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is RBSBKVZOWXMKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-3-11(15)14-7-5-9(8-14)10-4-6-12-13-10/h4,6,9H,2-3,5,7-8H2,1H3,(H,12,13).
What are the key properties of 1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one?
1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 207.28 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 110256008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).