[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C20H31N5O — CID 56755087

IUPAC[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1cn[nH]c1C1CCCN(C(=O)c2cc(CC(C)C)nn2CC)C1
InChIInChI=1S/C20H31N5O/c1-5-15-12-21-22-19(15)16-8-7-9-24(13-16)20(26)18-11-17(10-14(3)4)23-25(18)6-2/h11-12,14,16H,5-10,13H2,1-4H3,(H,21,22)
InChIKeyMHOHTUMSFFAEOL-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.41
Rot. Bonds6

About [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 56755087) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID56755087
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCCc1cn[nH]c1C1CCCN(C(=O)c2cc(CC(C)C)nn2CC)C1
InChIInChI=1S/C20H31N5O/c1-5-15-12-21-22-19(15)16-8-7-9-24(13-16)20(26)18-11-17(10-14(3)4)23-25(18)6-2/h11-12,14,16H,5-10,13H2,1-4H3,(H,21,22)
InChIKeyMHOHTUMSFFAEOL-UHFFFAOYSA-N
XLogP3.41
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone 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

(3R)-1-[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidine-3-carboxamide
CID 97136755
1-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylpentane-1,2-dione
CID 95214259
1-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 126466575
[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 95212418
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125019919
(3-aminopiperidin-1-yl)-(1,3-diethylpyrazol-5-yl)methanone
CID 66121216
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 70779113
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95222680
(4-cyclopropyl-2-methylpiperazin-1-yl)-[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 157016753
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 74238983
[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95221550
(8-chloroquinolin-2-yl)-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56757447

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 56755087) is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is CCc1cn[nH]c1C1CCCN(C(=O)c2cc(CC(C)C)nn2CC)C1.
What is the InChIKey of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is MHOHTUMSFFAEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O/c1-5-15-12-21-22-19(15)16-8-7-9-24(13-16)20(26)18-11-17(10-14(3)4)23-25(18)6-2/h11-12,14,16H,5-10,13H2,1-4H3,(H,21,22).
What are the key properties of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 357.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56755087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).