(3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone

C10H14ClN3O — CID 130485656

IUPAC(3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Cl)C2)nn1C
InChIInChI=1S/C10H14ClN3O/c1-7-5-9(12-13(7)2)10(15)14-4-3-8(11)6-14/h5,8H,3-4,6H2,1-2H3
InChIKeyKOMHAHBRSMKPOI-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.18
Rot. Bonds1

About (3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone

(3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone (PubChem CID 130485656) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is (3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
PubChem CID130485656
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name(3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(Cl)C2)nn1C
InChIInChI=1S/C10H14ClN3O/c1-7-5-9(12-13(7)2)10(15)14-4-3-8(11)6-14/h5,8H,3-4,6H2,1-2H3
InChIKeyKOMHAHBRSMKPOI-UHFFFAOYSA-N
XLogP1.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of (3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone (CID 130485656) is (3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for (3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for (3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCC(Cl)C2)nn1C.
What is the InChIKey of (3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is KOMHAHBRSMKPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7-5-9(12-13(7)2)10(15)14-4-3-8(11)6-14/h5,8H,3-4,6H2,1-2H3.
What are the key properties of (3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone?
(3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 227.69 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropyrrolidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 130485656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).