[5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone

C20H26N4O — CID 110372660

IUPAC[5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(C3CC3)n(-c3cccc(C)c3)n2)CC1
InChIInChI=1S/C20H26N4O/c1-3-22-9-11-23(12-10-22)20(25)18-14-19(16-7-8-16)24(21-18)17-6-4-5-15(2)13-17/h4-6,13-14,16H,3,7-12H2,1-2H3
InChIKeyBIPXXRXJVZYRDH-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.84
Rot. Bonds4

About [5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone

[5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 110372660) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is [5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID110372660
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name[5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cc(C3CC3)n(-c3cccc(C)c3)n2)CC1
InChIInChI=1S/C20H26N4O/c1-3-22-9-11-23(12-10-22)20(25)18-14-19(16-7-8-16)24(21-18)17-6-4-5-15(2)13-17/h4-6,13-14,16H,3,7-12H2,1-2H3
InChIKeyBIPXXRXJVZYRDH-UHFFFAOYSA-N
XLogP2.84
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 110372651
[5-amino-1-(3-methylphenyl)pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 82188845
(4-ethylpiperazin-1-yl)-[3-methyl-1-(3-methylphenyl)thieno[3,2-d]pyrazol-5-yl]methanone
CID 2003814
5-cyclopropyl-1-(3-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 110372655
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
(4-ethylpiperazin-1-yl)-[6-(3-methylanilino)pyridazin-3-yl]methanone
CID 109116683
[4-(N-ethyl-3-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109208548
N,N-diethyl-6-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109098913
ethyl 4-[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperazine-1-carboxylate
CID 110373026
N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 108988562
(4-ethylpiperazin-1-yl)-[2-[(3-methylphenyl)methylamino]pyrimidin-4-yl]methanone
CID 109302527
(4-ethylpiperazin-1-yl)-(5-methyl-1-phenyl-1,2,4-triazol-3-yl)methanone
CID 42692541

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone (CID 110372660) is [5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cc(C3CC3)n(-c3cccc(C)c3)n2)CC1.
What is the InChIKey of [5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is BIPXXRXJVZYRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-22-9-11-23(12-10-22)20(25)18-14-19(16-7-8-16)24(21-18)17-6-4-5-15(2)13-17/h4-6,13-14,16H,3,7-12H2,1-2H3.
What are the key properties of [5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone?
[5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-(3-methylphenyl)pyrazol-3-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 110372660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).