[5-amino-1-(2-chlorophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone

C14H15ClN4O — CID 82188857

IUPAC[5-amino-1-(2-chlorophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCC2)nn1-c1ccccc1Cl
InChIInChI=1S/C14H15ClN4O/c15-10-5-1-2-6-12(10)19-13(16)9-11(17-19)14(20)18-7-3-4-8-18/h1-2,5-6,9H,3-4,7-8,16H2
InChIKeyIFANKURALHFPDD-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.34
Rot. Bonds2

About [5-amino-1-(2-chlorophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone

[5-amino-1-(2-chlorophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 82188857) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is [5-amino-1-(2-chlorophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-amino-1-(2-chlorophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID82188857
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name[5-amino-1-(2-chlorophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCCC2)nn1-c1ccccc1Cl
InChIInChI=1S/C14H15ClN4O/c15-10-5-1-2-6-12(10)19-13(16)9-11(17-19)14(20)18-7-3-4-8-18/h1-2,5-6,9H,3-4,7-8,16H2
InChIKeyIFANKURALHFPDD-UHFFFAOYSA-N
XLogP2.34
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-chlorophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-amino-1-(2-chlorophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone (CID 82188857) is [5-amino-1-(2-chlorophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-amino-1-(2-chlorophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-amino-1-(2-chlorophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone is Nc1cc(C(=O)N2CCCC2)nn1-c1ccccc1Cl.
What is the InChIKey of [5-amino-1-(2-chlorophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is IFANKURALHFPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c15-10-5-1-2-6-12(10)19-13(16)9-11(17-19)14(20)18-7-3-4-8-18/h1-2,5-6,9H,3-4,7-8,16H2.
What are the key properties of [5-amino-1-(2-chlorophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone?
[5-amino-1-(2-chlorophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 290.75 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-(2-chlorophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 82188857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).