[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone

C13H20N4O — CID 119877995

IUPAC[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCn1cc(C2CCCN2C(=O)C2CCNC2)cn1
InChIInChI=1S/C13H20N4O/c1-16-9-11(8-15-16)12-3-2-6-17(12)13(18)10-4-5-14-7-10/h8-10,12,14H,2-7H2,1H3
InChIKeyNLHXBCJLALUGGR-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.69
Rot. Bonds2

About [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone

[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone (PubChem CID 119877995) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
PubChem CID119877995
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
SMILESCn1cc(C2CCCN2C(=O)C2CCNC2)cn1
InChIInChI=1S/C13H20N4O/c1-16-9-11(8-15-16)12-3-2-6-17(12)13(18)10-4-5-14-7-10/h8-10,12,14H,2-7H2,1H3
InChIKeyNLHXBCJLALUGGR-UHFFFAOYSA-N
XLogP0.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-piperidin-4-ylethanone
CID 119877965
(3-aminocyclopentyl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 119877945
(2-phenylazepan-1-yl)-pyrrolidin-3-ylmethanone
CID 119737819
2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one
CID 92551768
[2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63007252
[2-(3-fluorophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119721878
(5-methyl-1H-pyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824930
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 100843589
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119700020
(1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 86888139
[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 120920591

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone (CID 119877995) is [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone is Cn1cc(C2CCCN2C(=O)C2CCNC2)cn1.
What is the InChIKey of [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is NLHXBCJLALUGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16-9-11(8-15-16)12-3-2-6-17(12)13(18)10-4-5-14-7-10/h8-10,12,14H,2-7H2,1H3.
What are the key properties of [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone?
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 248.33 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 119877995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).