(1,3-dimethylpyrazol-4-yl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone

C15H24N4O — CID 164630775

IUPAC(1,3-dimethylpyrazol-4-yl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
SMILESCc1nn(C)cc1C(=O)N1CC[C@H](N2CCCCC2)C1
InChIInChI=1S/C15H24N4O/c1-12-14(11-17(2)16-12)15(20)19-9-6-13(10-19)18-7-4-3-5-8-18/h11,13H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyAXHMUKREZXOAIU-ZDUSSCGKSA-N
MW276.38 g/mol
LogP1.43
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone

(1,3-dimethylpyrazol-4-yl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone (PubChem CID 164630775) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
PubChem CID164630775
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone
SMILESCc1nn(C)cc1C(=O)N1CC[C@H](N2CCCCC2)C1
InChIInChI=1S/C15H24N4O/c1-12-14(11-17(2)16-12)15(20)19-9-6-13(10-19)18-7-4-3-5-8-18/h11,13H,3-10H2,1-2H3/t13-/m0/s1
InChIKeyAXHMUKREZXOAIU-ZDUSSCGKSA-N
XLogP1.43
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-4-(tetrahydrofuran-2-ylmethyl)piperazine
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(1,5-Dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 51075761
N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide
CID 51075762
1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide
CID 51076097
(1-Tert-butyl-5-ethylpyrazol-4-yl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 53541073
(5-ethyl-1H-pyrazol-4-yl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 53564631
[3-Methyl-5-(methylamino)-1,2-thiazol-4-yl]-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 53576732
[2-[(3,5-Dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 53617276
1-[4-(1-Tert-butyl-5-methylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56814051
(1,3-Dimethylpyrazol-4-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone (CID 164630775) is (1,3-dimethylpyrazol-4-yl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone is Cc1nn(C)cc1C(=O)N1CC[C@H](N2CCCCC2)C1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone?
The InChIKey is AXHMUKREZXOAIU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-14(11-17(2)16-12)15(20)19-9-6-13(10-19)18-7-4-3-5-8-18/h11,13H,3-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone?
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone has a molecular weight of 276.38 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 164630775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).